broad_id
string
depmap_id
string
ccle_name
string
screen_id
string
upper_limit
int64
lower_limit
float64
slope
float64
r2
float64
auc
float64
ec50
float64
ic50
float64
name
string
moa
string
target
string
disease.area
string
indication
string
smiles
string
phase
string
passed_str_profiling
bool
row_name
string
BRD-K26026438-001-01-0
ACH-000921
NCIH1339_LUNG
MTS010
1
1.215941
0.471349
-0.024455
1
0.345235
null
tucatinib
EGFR inhibitor
ERBB2
null
null
Cc1cc(Nc2ncnc3ccc(NC4=NC(C)(C)CO4)cc23)ccc1Oc1ccn2ncnc2c1
Phase 2
true
ACH-000921
BRD-K26657438-001-15-2
ACH-000921
NCIH1339_LUNG
MTS010
1
0.947786
0.022969
-0.008959
0.973757
0.049705
null
imiquimod
interferon inducer, toll-like receptor agonist
TLR7, TLR8
dermatology, infectious disease, oncology
actinic keratosis (AK), genital warts, basal cell carcinoma (BCC)
CC(C)Cn1cnc2c(N)nc3ccccc3c12, CC(C)Cn1cnc2c(N)nc3ccccc3c12, CC(C)Cn1cnc2c(N)nc3ccccc3c12
Launched
true
ACH-000921
BRD-K28822270-001-03-7
ACH-000921
NCIH1339_LUNG
MTS010
1
-0.011639
0.613688
0.508205
0.755253
1.525896
1.469738
resminostat
HDAC inhibitor
HDAC1, HDAC3, HDAC6, HDAC8
null
null
CN(C)Cc1ccc(cc1)S(=O)(=O)n1ccc(c1)\C=C\C(=O)NO, CN(C)Cc1ccc(cc1)S(=O)(=O)n1ccc(c1)\C=C\C(=O)NO
Phase 2
true
ACH-000921
BRD-K29905972-001-06-3
ACH-000921
NCIH1339_LUNG
MTS010
1
0.72931
-0.523442
-0.071737
0.961602
0.000693
null
axitinib
PDGFR tyrosine kinase receptor inhibitor, VEGFR inhibitor
CSF1, FLT1, FLT4, KDR, PLK4
oncology
renal cell carcinoma (RCC)
CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1, CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1, CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1, CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1, CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1
Launched
true
ACH-000921
BRD-K30577245-001-05-0
ACH-000921
NCIH1339_LUNG
MTS010
1
0.176497
1.975117
0.766192
0.660616
0.011452
0.014277
docetaxel
tubulin polymerization inhibitor
BCL2, MAP2, MAP4, MAPT, NR1I2, TUBB, TUBB1
oncology
breast cancer, non-small cell lung cancer (NSCLC), prostate cancer, gastric adenocarcinoma, head and neck squamous cell carcinoma (HNSCC)
CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]1(C)[C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C([C@@H](O)C1=O)C2(C)C, CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]1(C)[C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C([C@@H](O)C1=O)C2(C)C, CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]1(C)[C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C([C@@H](O)C1=O)C2(C)C
Launched
true
ACH-000921
BRD-K31698212-001-02-9
ACH-000921
NCIH1339_LUNG
MTS010
1
1.136368
-0.022038
-0.006984
1
0.061166
null
icotinib
EGFR inhibitor
EGFR
oncology
non-small cell lung cancer (NSCLC)
C#Cc1cccc(Nc2ncnc3cc4OCCOCCOCCOc4cc23)c1
Launched
true
ACH-000921
BRD-K31928526-001-02-1
ACH-000921
NCIH1339_LUNG
MTS010
1
1.268197
3.061309
0.304346
1
0.072605
null
barasertib
Aurora kinase inhibitor
AURKA, AURKB
null
null
CCN(CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1)CCOP(O)(O)=O
Phase 2/Phase 3
true
ACH-000921
BRD-K33379087-001-07-5
ACH-000921
NCIH1339_LUNG
MTS010
1
0.089138
1.816696
0.702821
0.786312
1.035363
1.153538
tivantinib
tyrosine kinase inhibitor
MET
null
null
O=C1NC(=O)[C@H]([C@@H]1c1c[nH]c2ccccc12)c1cn2CCCc3cccc1c23
Phase 3
true
ACH-000921
BRD-K33610132-001-02-9
ACH-000921
NCIH1339_LUNG
MTS010
1
1.116007
0.060667
-0.016244
1
0.000173
null
rociletinib
EGFR inhibitor
EGFR
null
null
COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)N1CCN(CC1)C(C)=O
Phase 3
true
ACH-000921
BRD-K33622447-066-01-9
ACH-000921
NCIH1339_LUNG
MTS010
1
0.300045
3.014804
0.422037
0.924202
3.546389
4.806339
abemaciclib
CDK inhibitor
CDK4, CDK6
oncology
breast cancer
CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1
Launched
true
ACH-000921
BRD-K35520305-001-16-9
ACH-000921
NCIH1339_LUNG
MTS010
1
1.31521
1.947551
0.137465
1
4.211771
null
dacarbazine
DNA alkylating agent
PGD, POLA2
oncology, hematologic malignancy
melanoma, Hodgkin's lymphoma
CN(C)\N=N\c1[nH]cnc1C(N)=O, CN(C)\N=N\c1[nH]cnc1C(N)=O
Launched
true
ACH-000921
BRD-K36627727-001-05-4
ACH-000921
NCIH1339_LUNG
MTS010
1
1.100259
3.829872
0.154215
1
0.126272
null
tamibarotene
retinoid receptor agonist
RARA, RARB
hematologic malignancy
acute promyelocytic leukemia (APL)
CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(cc3)C(O)=O)ccc12
Launched
true
ACH-000921
BRD-K36788280-001-01-2
ACH-000921
NCIH1339_LUNG
MTS010
1
0.628059
-1.912794
0.061347
0.978947
0.000844
null
ribociclib
CDK inhibitor
CDK4, CDK6
oncology
breast cancer
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1C1CCCC1, CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1C1CCCC1, CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1C1CCCC1
Launched
true
ACH-000921
BRD-K37379014-001-02-0
ACH-000921
NCIH1339_LUNG
MTS010
1
0.233006
4.515381
0.608744
0.767771
0.008262
0.009493
filanesib
kinesin inhibitor, kinesin-like spindle protein inhibitor
KIF11
null
null
CON(C)C(=O)N1N=C(S[C@@]1(CCCN)c1ccccc1)c1cc(F)ccc1F, CON(C)C(=O)N1N=C(S[C@@]1(CCCN)c1ccccc1)c1cc(F)ccc1F
Phase 3
true
ACH-000921
BRD-K38332599-001-01-3
ACH-000921
NCIH1339_LUNG
MTS010
1
0.158128
4.940242
0.68175
0.869914
2.23257
2.411185
uprosertib
AKT inhibitor
AKT1, AKT2, AKT3
null
null
Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@H](CN)Cc1ccc(F)c(F)c1
Phase 2
true
ACH-000921
BRD-K38527262-300-01-0
ACH-000921
NCIH1339_LUNG
MTS010
1
1.522107
0.178136
-0.021092
1
154.270915
null
atiprimod
JAK inhibitor, STAT inhibitor
JAK2, STAT3
null
null
CCCC1(CCC)CCC2(CCN(CCCN(CC)CC)C2)CC1
Phase 2
true
ACH-000921
BRD-K38852836-001-02-1
ACH-000921
NCIH1339_LUNG
MTS010
1
0.116238
1.456737
0.878222
0.565708
0.02126
0.025494
ganetespib
HSP inhibitor
HSP90AA1
null
null
CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3n(C)ccc3c2)c(O)cc1O
Phase 3
true
ACH-000921
BRD-K39974922-001-04-3
ACH-000921
NCIH1339_LUNG
MTS010
1
1.227212
2.479423
-0.070073
1
0.022421
null
lenvatinib
FGFR inhibitor, KIT inhibitor, PDGFR tyrosine kinase receptor inhibitor, VEGFR inhibitor
FLT4, KDR
oncology
thyroid cancer
COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O
Launched
true
ACH-000921
BRD-K41859756-001-06-8
ACH-000921
NCIH1339_LUNG
MTS010
1
0.224148
1.023827
0.697861
0.514907
0.005677
0.010149
NVP-AUY922
HSP inhibitor
HSP90AA1, HSP90AB1
null
null
CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O, CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O, CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O
Phase 2
true
ACH-000921
BRD-K42828737-001-03-3
ACH-000921
NCIH1339_LUNG
MTS010
1
1.067558
0.030152
-0.003535
1
0.000022
null
sunitinib
FLT3 inhibitor, KIT inhibitor, PDGFR tyrosine kinase receptor inhibitor, RET tyrosine kinase inhibitor, VEGFR inhibitor
CSF1R, FGFR1, FLT1, FLT3, FLT4, KDR, KIT, PDGFRA, PDGFRB, RET
oncology
gastrointestinal stromal tumors (GIST), renal cell carcinoma (RCC), neuroendocrine tumors of pancreatic origin (PNET)
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C, CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C, CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C, CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Launched
true
ACH-000921
BRD-K42898655-001-01-8
ACH-000921
NCIH1339_LUNG
MTS010
1
0.775748
0.66312
0.141829
0.865098
0.001666
null
temsirolimus
mTOR inhibitor
MTOR
oncology
renal cell carcinoma (RCC)
CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@@H]1OC(=O)C(C)(CO)CO
Launched
true
ACH-000921
BRD-K43389675-001-02-1
ACH-000921
NCIH1339_LUNG
MTS010
1
0.049056
3.022332
0.693426
0.77759
1.033741
1.06967
daunorubicin
RNA synthesis inhibitor, topoisomerase inhibitor
TOP2A, TOP2B
hematologic malignancy
acute myeloid leukemia (AML), acute lymphoblastic leukemia (ALL)
COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O, COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O, COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O, COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O
Launched
true
ACH-000921
BRD-K44227013-001-06-4
ACH-000921
NCIH1339_LUNG
MTS010
1
-0.020773
5.696547
0.549135
0.965569
7.424608
7.371883
ponatinib
Bcr-Abl kinase inhibitor, FLT3 inhibitor, PDGFR tyrosine kinase receptor inhibitor
ABL1, BCR, FGFR1, FGFR2, FGFR3, FGFR4, FLT3, KDR, KIT, LCK, LYN, PDGFRA, RET, SRC, TEK
hematologic malignancy
chronic myeloid leukemia (CML), acute lymphoblastic leukemia (ALL)
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)cc2C(F)(F)F)CC1, CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)cc2C(F)(F)F)CC1
Launched
true
ACH-000921
BRD-K44408410-001-17-6
ACH-000921
NCIH1339_LUNG
MTS010
1
0.062466
4.527376
0.536288
0.966439
7.437622
7.66025
2-methoxyestradiol
hypoxia inducible factor inhibitor
COMT, CYP19A1, CYP1A1, CYP1B1, HIF1A, TUBB
null
null
COc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2cc1O, COc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2cc1O, COc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2cc1O
Phase 2
true
ACH-000921
BRD-K44827188-001-06-0
ACH-000921
NCIH1339_LUNG
MTS010
1
0.877505
0.304486
0.080532
0.933874
0.042178
null
vismodegib
hedgehog pathway inhibitor, smoothened receptor antagonist
SMO
oncology
basal cell carcinoma (BCC)
Clc1cc(ccc1C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1)S(C)(=O)=O
Launched
true
ACH-000921
BRD-K46386702-001-02-1
ACH-000921
NCIH1339_LUNG
MTS010
1
0.917556
-1.892626
-0.144094
0.955582
0.113782
null
ARRY-334543
EGFR inhibitor
ERBB2
null
null
C[C@@H]1COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1
Phase 2
true
ACH-000921
BRD-K49328571-001-15-0
ACH-000921
NCIH1339_LUNG
MTS010
1
1.339893
5.403498
0.346951
1
0.077061
null
dasatinib
Bcr-Abl kinase inhibitor, ephrin inhibitor, KIT inhibitor, PDGFR tyrosine kinase receptor inhibitor, src inhibitor, tyrosine kinase inhibitor
ABL1, ABL2, BLK, EPHA2, FGR, FRK, FYN, HCK, KIT, LCK, LYN, PDGFRB, SRC, SRMS, STAT5B, YES1
hematologic malignancy
chronic myeloid leukemia (CML), acute lymphoblastic leukemia (ALL)
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1, Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
Launched
true
ACH-000921
BRD-K50010139-001-01-5
ACH-000921
NCIH1339_LUNG
MTS010
1
1.570695
0.180818
-0.175227
1
19.151586
null
poziotinib
EGFR inhibitor
EGFR, ERBB2, ERBB4
null
null
COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1OC1CCN(CC1)C(=O)C=C, COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1OC1CCN(CC1)C(=O)C=C
Phase 2
true
ACH-000921
BRD-K50168500-001-07-9
ACH-000921
NCIH1339_LUNG
MTS010
1
1.121484
0.100589
-0.067815
1
9,703.987862
null
canertinib
EGFR inhibitor
AKT1, EGFR, ERBB2, ERBB4
null
null
Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl
Phase 3
true
ACH-000921
BRD-K51313569-001-07-8
ACH-000921
NCIH1339_LUNG
MTS010
1
0.702101
0.340244
0.232832
0.877778
0.285266
null
palbociclib
CDK inhibitor
CDK4, CDK6
oncology
breast cancer
CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O, CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Launched
true
ACH-000921
BRD-K51791723-003-01-7
ACH-000921
NCIH1339_LUNG
MTS010
1
0.105059
5.025172
0.76559
0.738411
0.586226
0.614401
P276-00
CDK inhibitor
CDK1, CDK4, CDK9
null
null
CN1CC[C@H]([C@@H]1CO)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl
Phase 2
true
ACH-000921
BRD-K51967704-001-03-6
ACH-000921
NCIH1339_LUNG
MTS010
1
0.170807
1.267171
0.793802
0.711064
0.343572
0.477817
BIIB021
HSP inhibitor
HSP90AA1
null
null
COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc23)c1C, COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc23)c1C
Phase 2
true
ACH-000921
BRD-K52313696-001-12-3
ACH-000921
NCIH1339_LUNG
MTS010
1
0.72237
1.245482
0.201268
0.884045
0.174439
null
tacedinaline
HDAC inhibitor
HDAC1
null
null
CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1N, CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1N
Phase 3
true
ACH-000921
BRD-K53414658-001-08-2
ACH-000921
NCIH1339_LUNG
MTS010
1
0.980554
0.228385
-0.053141
0.988782
0.017559
null
tivozanib
VEGFR inhibitor
FLT1, FLT4, KDR, KIT, PDGFRA, PDGFRB
null
null
COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC
Phase 3
true
ACH-000921
BRD-K53972329-001-07-0
ACH-000921
NCIH1339_LUNG
MTS010
1
1.298698
0.573436
0.058672
1
1.210608
null
ruxolitinib
JAK inhibitor
JAK1, JAK2, JAK3, TYK2
hematologic malignancy, hematology
myelofibrosis, polycythemia vera
N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12
Launched
true
ACH-000921
BRD-K54256913-001-08-7
ACH-000921
NCIH1339_LUNG
MTS010
1
0.134157
3.7041
0.778147
0.755278
0.643831
0.700488
MK-1775
WEE1 kinase inhibitor
WEE1
null
null
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(CC=C)c3=O)cc1
Phase 2
true
ACH-000921
BRD-K54955827-001-02-2
ACH-000921
NCIH1339_LUNG
MTS010
1
0.913857
-0.001316
-0.061696
0.955263
2,708,033,183,658,621,700,000,000
null
niraparib
PARP inhibitor
PARP1
oncology
primary peritoneal cancer (PPC)
NC(=O)c1cccc2cn(nc12)-c1ccc(cc1)[C@@H]1CCCNC1, NC(=O)c1cccc2cn(nc12)-c1ccc(cc1)[C@@H]1CCCNC1
Launched
true
ACH-000921
BRD-K54997624-001-06-0
ACH-000921
NCIH1339_LUNG
MTS010
1
1.471599
0.457049
0.152646
1
1.3522
null
alpelisib
PI3K inhibitor
PIK3CA, PIK3CB, PIK3CD, PIK3CG
null
null
Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(c1)C(C)(C)C(F)(F)F
Phase 3
true
ACH-000921
BRD-K55187425-236-05-2
ACH-000921
NCIH1339_LUNG
MTS010
1
0.129746
5.767171
0.819858
0.600496
0.116196
0.122409
rigosertib
cell cycle inhibitor, PLK inhibitor
PLK1
null
null
COc1cc(OC)c(\C=C\S(=O)(=O)Cc2ccc(OC)c(NCC(O)=O)c2)c(OC)c1, COc1cc(OC)c(\C=C\S(=O)(=O)Cc2ccc(OC)c(NCC(O)=O)c2)c(OC)c1, COc1cc(OC)c(\C=C\S(=O)(=O)Cc2ccc(OC)c(NCC(O)=O)c2)c(OC)c1
Phase 3
true
ACH-000921
BRD-K56343971-001-14-8
ACH-000921
NCIH1339_LUNG
MTS010
1
0.69825
2.298702
0.341218
0.916595
0.684611
null
vemurafenib
RAF inhibitor
BRAF, RAF1
oncology
melanoma
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F, CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F, CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F
Launched
true
ACH-000921
BRD-K56981171-001-02-8
ACH-000921
NCIH1339_LUNG
MTS010
1
0.829191
-0.78136
0.127088
0.948361
0.010072
null
brigatinib
ALK tyrosine kinase receptor inhibitor, EGFR inhibitor
ALK, EGFR
oncology
non-small cell lung cancer (NSCLC)
COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1, COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1
Launched
true
ACH-000921
BRD-K57080016-001-15-9
ACH-000921
NCIH1339_LUNG
MTS010
1
0.611587
1.334597
0.062765
0.828751
0.138874
null
selumetinib
MEK inhibitor
MAP2K1
null
null
Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO, Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO
Phase 3
true
ACH-000921
BRD-K57169635-001-04-5
ACH-000921
NCIH1339_LUNG
MTS010
1
-0.672024
3.432442
0.655449
0.963533
9.810605
7.65436
dacomitinib
EGFR inhibitor
EGFR, ERBB2, ERBB4
null
null
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1
Phase 3
true
ACH-000921
BRD-K58435339-001-03-0
ACH-000921
NCIH1339_LUNG
MTS010
1
0.21412
0.898677
0.833024
0.619394
0.091312
0.170096
AT13387
HSP antagonist
HSP90AA1
null
null
CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O, CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O
Phase 2
true
ACH-000921
BRD-K58529924-001-01-5
ACH-000921
NCIH1339_LUNG
MTS010
1
0.730401
1.318191
0.236974
0.920167
0.609098
null
ONC201
AKT inhibitor, MAP kinase inhibitor
TNFSF10
null
null
Cc1ccccc1CN1C2=NCCN2C2=C(CN(Cc3ccccc3)CC2)C1=O
Phase 2
true
ACH-000921
BRD-K58550667-001-08-7
ACH-000921
NCIH1339_LUNG
MTS010
1
0.37837
6.156528
0.602995
0.889755
0.111781
0.140633
FK-866
niacinamide phosphoribosyltransferase inhibitor
NAMPT
null
null
O=C(NCCCCC1CCN(CC1)C(=O)c1ccccc1)\C=C\c1cccnc1
Phase 2
true
ACH-000921
BRD-K59317601-001-05-5
ACH-000921
NCIH1339_LUNG
MTS010
1
0.787907
3.828488
0.24749
0.932293
0.451367
null
MLN0128
mTOR inhibitor
MTOR, PIK3CA, PIK3CD, PIK3CG
null
null
CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc12
Phase 2
true
ACH-000921
BRD-K59369769-001-22-9
ACH-000921
NCIH1339_LUNG
MTS010
1
1.092861
-0.081722
-0.145283
1
4,222.785736
null
tozasertib
Aurora kinase inhibitor, Bcr-Abl kinase inhibitor, FLT3 inhibitor, JAK inhibitor
AURKA, AURKB, AURKC, LCK
null
null
CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1, CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Phase 2
true
ACH-000921
BRD-K60997853-001-02-3
ACH-000921
NCIH1339_LUNG
MTS010
1
1.612712
0.357998
-0.02066
1
38.657378
null
PHA-848125
CDK inhibitor, growth factor receptor inhibitor
CDK2, CDK4, CDK7, NTRK1
null
null
CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc-21
Phase 2
true
ACH-000921
BRD-K61192372-001-08-9
ACH-000921
NCIH1339_LUNG
MTS010
1
0.762227
-2.927467
0.126135
0.792693
2.910135
null
capecitabine
DNA synthesis inhibitor, thymidylate synthase inhibitor
TYMS
oncology
breast cancer, colorectal cancer
CCCCCOC(=O)Nc1nc(=O)n(cc1F)[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O, CCCCCOC(=O)Nc1nc(=O)n(cc1F)[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O, CCCCCOC(=O)Nc1nc(=O)n(cc1F)[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O, CCCCCOC(=O)Nc1nc(=O)n(cc1F)[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O
Launched
true
ACH-000921
BRD-K62008436-001-23-9
ACH-000921
NCIH1339_LUNG
MTS010
1
0.146644
1.645534
0.616114
0.677091
0.015906
0.019641
paclitaxel
tubulin polymerization inhibitor
BCL2, MAP2, MAP4, MAPT, NR1I2, TLR4, TUBB, TUBB1
oncology
ovarian cancer, breast cancer, non-small cell lung cancer (NSCLC)
CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1, CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1, CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1, CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1, CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1
Launched
true
ACH-000921
BRD-K62196610-001-01-6
ACH-000921
NCIH1339_LUNG
MTS010
1
1.364123
0.387927
0.047033
1
0.016117
null
AVN-944
inosine monophosphate dehydrogenase inhibitor
IMPDH1, IMPDH2
null
null
CC[C@H](CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)Nc2ccc(-c3cnco3)c(OC)c2)c1
Phase 2
true
ACH-000921
BRD-K62200014-003-10-5
ACH-000921
NCIH1339_LUNG
MTS010
1
1.063319
2.376326
0.120963
1
0.019975
null
anagrelide
phosphodiesterase inhibitor
PDE3A
hematology, hematologic malignancy
thrombocythemia, myeloproliferative neoplasms
Clc1ccc2N=C3NC(=O)CN3Cc2c1Cl, Clc1ccc2N=C3NC(=O)CN3Cc2c1Cl, Clc1ccc2N=C3NC(=O)CN3Cc2c1Cl
Launched
true
ACH-000921
BRD-K62391742-001-09-7
ACH-000921
NCIH1339_LUNG
MTS010
1
1.129852
-0.514251
-0.05669
1
0.010103
null
venetoclax
BCL inhibitor
BCL2
hematologic malignancy
chronic lymphocytic leukemia (CLL)
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1, CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1, CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Launched
true
ACH-000921
BRD-K62627508-001-01-5
ACH-000921
NCIH1339_LUNG
MTS010
1
1.13762
0.003287
-0.003446
1
0.009455
null
idasanutlin
MDM inhibitor
MDM2, TP53
null
null
COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(O)=O
Phase 3
true
ACH-000921
BRD-K63504947-001-14-7
ACH-000921
NCIH1339_LUNG
MTS010
1
1.5135
0.492867
0.394827
1
0.230176
null
semaxanib
VEGFR inhibitor
FGFR1, FLT1, KDR, KIT, PDGFRA, PDGFRB, RET
null
null
Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1, Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1, Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1, Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1
Phase 3
true
ACH-000921
BRD-K63712959-001-01-8
ACH-000921
NCIH1339_LUNG
MTS010
1
0.947771
0.125493
-0.060478
0.972134
0.025919
null
temoporfin
radical formation stimulant
null
oncology
head and neck squamous cell carcinoma (HNSCC)
Oc1cccc(c1)-c1c2CCc(n2)c(-c2cccc(O)c2)c2ccc([nH]2)c(-c2cccc(O)c2)c2ccc(n2)c(-c2cccc(O)c2)c2ccc1[nH]2
Launched
true
ACH-000921
BRD-K64052750-001-22-5
ACH-000921
NCIH1339_LUNG
MTS010
1
1.342658
0.554691
0.274845
1
0.430612
null
gefitinib
EGFR inhibitor
EGFR
oncology
non-small cell lung cancer (NSCLC)
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1, COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1, COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1, COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
Launched
true
ACH-000921
BRD-K64881305-001-03-7
ACH-000921
NCIH1339_LUNG
MTS010
1
0.357536
2.652506
0.546272
0.552879
0.011661
0.01872
ispinesib
kinesin inhibitor
KIF11
null
null
CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)cc1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1, CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)cc1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1, CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)cc1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1
Phase 2
true
ACH-000921
BRD-K66175015-001-12-4
ACH-000921
NCIH1339_LUNG
MTS010
1
-0.430738
2.865971
0.568611
0.949193
8.335583
6.710824
afatinib
EGFR inhibitor
EGFR, ERBB2, ERBB4
oncology
non-small cell lung cancer (NSCLC)
CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1, CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1, CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1
Launched
true
ACH-000921
BRD-K67844266-003-01-9
ACH-000921
NCIH1339_LUNG
MTS010
1
0.326553
2.569078
0.355081
0.542278
0.013657
0.020622
pevonedistat
nedd activating enzyme inhibitor
NAE1, UBA3
null
null
NS(=O)(=O)OC[C@@H]1C[C@H](C[C@@H]1O)n1ccc2c(N[C@H]3CCc4ccccc34)ncnc12
Phase 2
true
ACH-000921
BRD-K69001009-001-02-8
ACH-000921
NCIH1339_LUNG
MTS010
1
0.970634
0.078558
-0.019302
0.985819
0.188571
null
golvatinib
VEGFR inhibitor
KDR, MET
null
null
CN1CCN(CC1)C1CCN(CC1)C(=O)Nc1cc(Oc2ccc(NC(=O)C3(CC3)C(=O)Nc3ccc(F)cc3)c(F)c2)ccn1
Phase 2
true
ACH-000921
BRD-K69694239-001-02-2
ACH-000921
NCIH1339_LUNG
MTS010
1
0.157495
7.131179
0.752782
0.760136
0.631056
0.665438
bardoxolone-methyl
nuclear factor erythroid derived, like (NRF2) activator
PPARG, STAT3
null
null
COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
Phase 3
true
ACH-000921
BRD-K69776681-001-03-8
ACH-000921
NCIH1339_LUNG
MTS010
1
0.458174
1.688129
0.311644
0.71263
0.058154
0.252857
volasertib
PLK inhibitor
PLK1
null
null
CC[C@H]1N(C(C)C)c2nc(Nc3ccc(cc3OC)C(=O)N[C@H]3CC[C@@H](CC3)N3CCN(CC4CC4)CC3)ncc2N(C)C1=O, CC[C@H]1N(C(C)C)c2nc(Nc3ccc(cc3OC)C(=O)N[C@H]3CC[C@@H](CC3)N3CCN(CC4CC4)CC3)ncc2N(C)C1=O
Phase 3
true
ACH-000921
BRD-K70301465-001-05-9
ACH-000921
NCIH1339_LUNG
MTS010
1
1.175471
-0.081093
0.002454
1
278,087.63412
null
ibrutinib
Bruton's tyrosine kinase (BTK) inhibitor
BLK, BMX, BTK
hematologic malignancy
chronic lymphocytic leukemia (CLL), mantle cell lymphoma (MCL), Waldenstrom's macroglobulinemia (WM)
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C, Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C
Launched
true
ACH-000921
BRD-K70401845-001-15-7
ACH-000921
NCIH1339_LUNG
MTS010
1
1.073663
-0.166419
-0.012565
1
0.623188
null
erlotinib
EGFR inhibitor
EGFR, NR1I2
oncology
non-small cell lung cancer (NSCLC), pancreatic cancer
COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC, COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Launched
true
ACH-000921
BRD-K73838513-003-05-5
ACH-000921
NCIH1339_LUNG
MTS010
1
0.408314
1.652532
0.158745
0.947208
4.963207
null
cinacalcet
calcium channel activator
CASR
endocrinology, nephrology, oncology
hyperparathyroidism, chronic kidney disease (CKD), parathyroid carcinoma, hypercalcemia
C[C@@H](NCCCc1cccc(c1)C(F)(F)F)c1cccc2ccccc12
Launched
true
ACH-000921
BRD-K74514084-003-09-2
ACH-000921
NCIH1339_LUNG
MTS010
1
0.694127
3.405563
0.354439
0.905087
0.492241
null
pazopanib
KIT inhibitor, PDGFR tyrosine kinase receptor inhibitor, VEGFR inhibitor
CSF1R, FGF1, FGFR1, FGFR3, FLT1, FLT4, ITK, KDR, KIT, PDGFRA, PDGFRB, SH2B3
oncology
renal cell carcinoma (RCC), soft tissue sarcoma (STS)
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1, CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
Launched
true
ACH-000921
BRD-K75009076-001-02-1
ACH-000921
NCIH1339_LUNG
MTS010
1
0.126998
4.196729
0.776937
0.728944
0.491359
0.526894
SCH-900776
CHK inhibitor
CDK2, CHEK1
null
null
Cn1cc(cn1)-c1cnn2c(N)c(Br)c(nc12)[C@@H]1CCCNC1, Cn1cc(cn1)-c1cnn2c(N)c(Br)c(nc12)[C@@H]1CCCNC1
Phase 2
true
ACH-000921
BRD-K76210423-001-01-6
ACH-000921
NCIH1339_LUNG
MTS010
1
1.028373
-0.050147
-0.033049
1
0.276707
null
resiquimod
toll-like receptor agonist
TLR7, TLR8
null
null
CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O, CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O
Phase 3
true
ACH-000921
BRD-K76239644-001-02-6
ACH-000921
NCIH1339_LUNG
MTS010
1
1.300472
0.807229
0.129903
1
0.232413
null
BMS-690514
EGFR inhibitor, VEGFR inhibitor
EGFR, ERBB2, FLT3, KDR
null
null
COc1cccc(Nc2ncnn3ccc(CN4CC[C@@H](N)[C@H](O)C4)c23)c1, COc1cccc(Nc2ncnn3ccc(CN4CC[C@@H](N)[C@H](O)C4)c23)c1
Phase 2
true
ACH-000921
BRD-K76674262-001-03-3
ACH-000921
NCIH1339_LUNG
MTS010
1
0.064764
1.151139
0.798384
0.686093
0.392758
0.443059
homoharringtonine
protein synthesis inhibitor
RPL3
hematologic malignancy
chronic myeloid leukemia (CML)
COC(=O)C[C@](O)(CCCC(C)(C)O)C(=O)O[C@H]1[C@H]2c3cc4OCOc4cc3CCN3CCC[C@]23C=C1OC
Launched
true
ACH-000921
BRD-K76908866-001-07-6
ACH-000921
NCIH1339_LUNG
MTS010
1
0.979645
0.032182
-0.024747
0.98878
0.00013
null
CP-724714
EGFR inhibitor, protein tyrosine kinase inhibitor
ERBB2
null
null
COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
Phase 2
true
ACH-000921
BRD-K77625799-001-07-7
ACH-000921
NCIH1339_LUNG
MTS010
1
0.677421
-1.082382
0.065593
0.925845
0.005209
null
vandetanib
EGFR inhibitor, RET tyrosine kinase inhibitor, VEGFR inhibitor
EGFR, EPHA1, EPHA10, EPHA2, EPHA3, EPHA4, EPHA5, EPHA6, EPHA7, EPHA8, EPHB1, EPHB2, EPHB3, EPHB4, EPHB6, ERBB2, ERBB3, ERBB4, FLT1, FLT4, KDR, PTK6, RET, SRC, TEK, VEGFA
oncology
medullary thyroid cancer (MTC)
COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
Launched
true
ACH-000921
BRD-K79254416-001-21-8
ACH-000921
NCIH1339_LUNG
MTS010
1
0.999371
0.045243
-0.019731
0.999628
0.000022
null
decitabine
DNA methyltransferase inhibitor
DNMT1, DNMT3A
hematologic malignancy, hematology
myelodysplastic diseases (MDS), anemia, chronic myeloid leukemia (CML)
Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1, Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1, Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1
Launched
true
ACH-000921
BRD-K81016934-001-02-0
ACH-000921
NCIH1339_LUNG
MTS010
1
1.283649
0.009893
0.003541
1
1.318586
null
INC-280
c-Met inhibitor
MET
null
null
CNC(=O)c1ccc(cc1F)-c1cnc2ncc(Cc3ccc4ncccc4c3)n2n1
Phase 2
true
ACH-000921
BRD-K81418486-001-44-2
ACH-000921
NCIH1339_LUNG
MTS010
1
0.327129
0.735396
0.253445
0.807012
0.739924
3.136148
vorinostat
HDAC inhibitor
HDAC1, HDAC10, HDAC11, HDAC2, HDAC3, HDAC5, HDAC6, HDAC8, HDAC9
hematologic malignancy
cutaneous T-cell lymphoma (CTCL)
ONC(=O)CCCCCCC(=O)Nc1ccccc1, ONC(=O)CCCCCCC(=O)Nc1ccccc1, ONC(=O)CCCCCCC(=O)Nc1ccccc1
Launched
true
ACH-000921
BRD-K81473043-001-19-5
ACH-000921
NCIH1339_LUNG
MTS010
1
0.202301
1.595354
0.776682
0.744261
0.027957
0.038694
tanespimycin
HSP inhibitor
HSP90AA1
null
null
CO[C@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O, CO[C@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O
Phase 3
true
ACH-000921
BRD-K82135108-001-04-3
ACH-000921
NCIH1339_LUNG
MTS010
1
0.366738
1.100098
0.647737
0.683141
0.077827
0.258908
elesclomol
oxidative stress inducer
HSPA1A
null
null
CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1
Phase 3
true
ACH-000921
BRD-K82746043-001-19-3
ACH-000921
NCIH1339_LUNG
MTS010
1
0.872771
0.135856
0.000551
0.924504
0.004379
null
navitoclax
BCL inhibitor
BCL2, BCL2L1, BCL2L2
null
null
CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1, CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1
Phase 2
true
ACH-000921
BRD-K82818427-001-04-8
ACH-000921
NCIH1339_LUNG
MTS010
1
1.035567
-0.146335
-0.003656
1
5.018535
null
batimastat
matrix metalloprotease inhibitor
ADAM28, ADAMTS5, MMP12, MMP16, MMP2, MMP8
null
null
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO, CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO
Phase 3
true
ACH-000921
BRD-K83029223-001-01-3
ACH-000921
NCIH1339_LUNG
MTS010
1
0.314763
5.480879
0.687738
0.688377
0.007569
0.009073
litronesib
kinesin-like spindle protein inhibitor
KIF11
null
null
CCNCCS(=O)(=O)NC[C@]1(SC(NC(=O)C(C)(C)C)=NN1C(=O)C(C)(C)C)c1ccccc1
Phase 2
true
ACH-000921
BRD-K83988098-001-02-0
ACH-000921
NCIH1339_LUNG
MTS010
1
0.145492
1.217809
0.59466
0.746401
0.008977
0.011906
alvespimycin
HSP inhibitor
HSP90AA1
null
null
CO[C@H]1C[C@H](C)CC2=C(NCCN(C)C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O, CO[C@H]1C[C@H](C)CC2=C(NCCN(C)C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O
Phase 2
true
ACH-000921
BRD-K85402309-043-01-9
ACH-000921
NCIH1339_LUNG
MTS010
1
-1.628136
2.688362
0.399946
0.961716
13.323575
7.773831
dovitinib
EGFR inhibitor, FGFR inhibitor, FLT3 inhibitor, PDGFR tyrosine kinase receptor inhibitor, VEGFR inhibitor
CSF1R, EGFR, FGFR1, FGFR2, FGFR3, FLT1, FLT3, FLT4, INSR, KDR, KIT, PDGFRA, PDGFRB
null
null
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O, CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O, CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O, CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O, CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O, CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
Phase 3
true
ACH-000921
BRD-K86118762-001-01-8
ACH-000921
NCIH1339_LUNG
MTS010
1
1.009409
-0.255122
-0.077345
1
4.40575
null
linsitinib
IGF-1 inhibitor
IGF1R, INSR, INSRR
null
null
C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)nccn12, C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)nccn12
Phase 3
true
ACH-000921
BRD-K86972824-001-01-4
ACH-000921
NCIH1339_LUNG
MTS010
1
1.04651
-0.038659
-0.008233
1
2.232117
null
oltipraz
nuclear factor erythroid derived, like (NRF2) activator
ANG
null
null
Cc1c(ssc1=S)-c1cnccn1, Cc1c(ssc1=S)-c1cnccn1
Phase 3
true
ACH-000921
BRD-K87737963-001-06-0
ACH-000921
NCIH1339_LUNG
MTS010
1
1.080633
-0.094878
-0.007322
1
45.947348
null
cyt387
null
JAK1, JAK2, JAK3
null
null
O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1, O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Phase 3
true
ACH-000921
BRD-K87782578-001-01-4
ACH-000921
NCIH1339_LUNG
MTS010
1
1.280311
0.652698
0.251772
1
0.237998
null
AVL-292
Bruton's tyrosine kinase (BTK) inhibitor
BTK, YES1
null
null
COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
Phase 2
true
ACH-000921
BRD-K87909389-003-03-4
ACH-000921
NCIH1339_LUNG
MTS010
1
0.103319
1.771303
0.704742
0.645131
0.214917
0.244924
alvocidib
CDK inhibitor
CDK1, CDK2, CDK4, CDK5, CDK6, CDK7, CDK8, CDK9, EGFR, PYGM
null
null
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl, CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl
Phase 2
true
ACH-000921
BRD-K88510285-001-17-8
ACH-000921
NCIH1339_LUNG
MTS010
1
-0.025284
0.558222
0.409623
0.577756
0.052288
0.047865
bortezomib
NFkB pathway inhibitor, proteasome inhibitor
PSMA1, PSMA2, PSMA3, PSMA4, PSMA5, PSMA6, PSMA7, PSMA8, PSMB1, PSMB10, PSMB11, PSMB2, PSMB3, PSMB4, PSMB5, PSMB6, PSMB7, PSMB8, PSMB9, PSMD1, PSMD2, RELA
hematologic malignancy
multiple myeloma, mantle cell lymphoma (MCL)
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O, CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O, CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O, CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O, CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O
Launched
true
ACH-000921
BRD-K89014967-001-04-3
ACH-000921
NCIH1339_LUNG
MTS010
1
0.797425
0.265656
0.015378
0.912032
0.241583
null
AS-703026
MEK inhibitor
MAP2K1, MAP2K2
null
null
OC[C@@H](O)CNC(=O)c1ccncc1Nc1ccc(I)cc1F
Phase 2
true
ACH-000921
BRD-K92441787-001-04-1
ACH-000921
NCIH1339_LUNG
MTS010
1
0.879163
-3.538748
0.118495
0.897414
2.312686
null
bexarotene
retinoid receptor agonist
RXRA, RXRB, RXRG
hematologic malignancy
cutaneous T-cell lymphoma (CTCL)
Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Launched
true
ACH-000921
BRD-K92723993-001-17-4
ACH-000921
NCIH1339_LUNG
MTS010
1
1.441643
2.168076
0.156312
1
6.09139
null
imatinib
Bcr-Abl kinase inhibitor, KIT inhibitor, PDGFR tyrosine kinase receptor inhibitor
ABL1, CSF1R, DDR1, KIT, NTRK1, PDGFRA, PDGFRB, RET
hematologic malignancy, oncology
chronic myeloid leukemia (CML), acute lymphoblastic leukemia (ALL), myelodysplastic diseases (MDS), aggressive systemic mastocytosis (ASM), hypereosinophilic syndrome (HES), chronic eosinophilic leukemia (CEL), dermatofibrosarcoma protuberans (DFSP), gastrointestinal stromal tumors (GIST)
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1, CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1, CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Launched
true
ACH-000921
BRD-K95142244-001-01-5
ACH-000921
NCIH1339_LUNG
MTS010
1
0.357099
1.595567
0.709708
0.835436
0.844082
1.850497
talazoparib
PARP inhibitor
PARP2
null
null
Cn1ncnc1[C@@H]1[C@H](Nc2cc(F)cc3c2c1n[nH]c3=O)c1ccc(F)cc1
Phase 3
true
ACH-000921
BRD-K96123349-236-02-8
ACH-000921
NCIH1339_LUNG
MTS010
1
1.61152
5.601203
0.622981
1
0.263876
null
brequinar
dihydroorotate dehydrogenase inhibitor
DHODH
null
null
Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F
Phase 2
true
ACH-000921
BRD-K98572433-001-02-9
ACH-000921
NCIH1339_LUNG
MTS010
1
1.495462
0.681833
0.548286
1
0.353078
null
AZD8931
EGFR inhibitor
EGFR, ERBB2, ERBB3
null
null
CNC(=O)CN1CCC(CC1)Oc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC
Phase 2
true
ACH-000921
BRD-K99113996-001-02-0
ACH-000921
NCIH1339_LUNG
MTS010
1
1.262275
-0.101225
-0.059989
1
0.000364
null
AZD2014
mTOR inhibitor
MTOR
null
null
CNC(=O)c1cccc(c1)-c1ccc2c(nc(nc2n1)N1CCOC[C@@H]1C)N1CCOC[C@@H]1C
Phase 2
true
ACH-000921
BRD-K99616396-001-05-1
ACH-000921
NCIH1339_LUNG
MTS010
1
1.241494
0.072329
0.0025
1
0.032277
null
motesanib
KIT inhibitor, PDGFR tyrosine kinase receptor inhibitor, VEGFR inhibitor
FLT1, FLT4, KDR, KIT
null
null
CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12, CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12, CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12, CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12, CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12
Phase 3
true
ACH-000921
BRD-K99749624-001-07-0
ACH-000921
NCIH1339_LUNG
MTS010
1
1.061153
0.084716
0.001909
1
0.001694
null
linifanib
PDGFR tyrosine kinase receptor inhibitor, VEGFR inhibitor
CSF1, CSF1R, FLT1, FLT3, FLT4, KDR, KIT, PDGFRB, RET, TEK
null
null
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
Phase 3
true
ACH-000921
BRD-M97302542-001-04-4
ACH-000921
NCIH1339_LUNG
MTS010
1
1.18143
-1.475115
0.005849
1
0.566983
null
dichloroacetate
pyruvate dehydrogenase kinase inhibitor
PDK1
null
null
[Na].OC(=O)C(Cl)Cl, [Na].OC(=O)C(Cl)Cl
Phase 3
true
ACH-000921