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Compound Detail

CHEMBL1090479

GSK-1070916
Phase I
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Phase I
CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1090479
Name GSK-1070916
Phase Phase I
Structure Type MOL
InChI Key QTBWCSQGBMPECM-UHFFFAOYSA-N

Known Names

GSK 1070916A Gsk-1070916 Gsk-1070916a GSK1070916 GSK1070916A
179
Targets
268
Activities
4
Assay Types
9
PK Parameters
20
Publications
5
Known Names
1
Indications
2
Mechanisms

Molecular Properties

507.6
MW (Da)
5.94
ALogP
5
HBA
2
HBD
82.1
PSA (Ų)
0.29
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Extended Properties

Molecular Formula C30H33N7O
MW 507.64
Aromatic Rings 5
Heavy Atoms 38
NP-Likeness -1.31

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Serine/threonine-protein kinase Aurora-B inhibitor INHIBITOR Aurora kinase B ✓ ✓
Serine/threonine-protein kinase Aurora-C inhibitor INHIBITOR Aurora kinase C ✓ ✓

Indications

Neoplasms

Activity Summary

EC50 170 meas. best 9.0
Kd 43 meas. best 8.1
IC50 40 meas. best 8.5
Ki 15 meas. best 9.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Aurora kinase B
CHEMBL2185
 Ki 9.42 9.42 0.4 2
Aurora kinase B/Inner centromere protein
CHEMBL3430907
 Ki 9.42 9.4167 0.4 3
Unchecked
CHEMBL612545
 EC50 9.0 7.8956 1.0 32
Aurora-C/INCENP
CHEMBL4106141
 Ki 8.84 8.8333 1.4 3
Aurora kinase C
CHEMBL3935
 Ki 8.82 8.82 1.5 2
NOMO-1
CHEMBL2366198
 EC50 8.7 8.7 2.0 1
ST486
CHEMBL2366293
 EC50 8.7 8.7 2.0 1
EB2
CHEMBL2366338
 EC50 8.7 8.7 2.0 1
JVM-3
CHEMBL2366372
 EC50 8.7 8.7 2.0 1
SUP-B15
CHEMBL4296498
 EC50 8.7 8.7 2.0 1
COLO 201
CHEMBL4523567
 EC50 8.7 8.7 2.0 1
ASPC1
CHEMBL612588
 EC50 8.7 8.7 2.0 1
SW48
CHEMBL614055
 EC50 8.7 8.7 2.0 1
NALM-6
CHEMBL614187
 EC50 8.7 8.7 2.0 1
CCRF-SB
CHEMBL614542
 EC50 8.7 8.7 2.0 1
SK-MEL-2
CHEMBL614917
 EC50 8.7 8.7 2.0 1
CRO-AP2
CHEMBL2366080
 EC50 8.52 8.52 3.0 1
MOLT-16
CHEMBL2366362
 EC50 8.52 8.52 3.0 1
Jurkat
CHEMBL397
 EC50 8.52 8.52 3.0 1
SEM
CHEMBL4296493
 EC50 8.52 8.52 3.0 1
SW480
CHEMBL612544
 EC50 8.52 8.52 3.0 1
MOLT-4
CHEMBL614177
 EC50 8.52 8.52 3.0 1
OVCAR-3
CHEMBL614213
 EC50 8.52 8.52 3.0 1
SR
CHEMBL614300
 EC50 8.52 8.52 3.0 1
BXPC-3
CHEMBL614530
 EC50 8.52 8.52 3.0 1
CCRF-HSB-2
CHEMBL614541
 EC50 8.52 8.52 3.0 1
Raji
CHEMBL614628
 EC50 8.52 8.52 3.0 1
WiDr
CHEMBL614647
 EC50 8.52 8.52 3.0 1
MIA PaCa-2
CHEMBL614725
 EC50 8.52 8.52 3.0 1
Aurora kinase B/Inner centromere protein
CHEMBL3430907
 IC50 8.5 8.4833 3.2 3
Aurora kinase B
CHEMBL2185
 IC50 8.46 8.172 3.5 5
MHH-PREB-1
CHEMBL2366127
 EC50 8.4 8.4 4.0 1
OCI-AML2
CHEMBL2366220
 EC50 8.4 8.4 4.0 1
EM-2
CHEMBL2366281
 EC50 8.4 8.4 4.0 1
HD-MY-Z
CHEMBL2366322
 EC50 8.4 8.4 4.0 1
CTV-1
CHEMBL2366360
 EC50 8.4 8.4 4.0 1
OCI-AML-3
CHEMBL4296479
 EC50 8.4 8.4 4.0 1
Pfeiffer
CHEMBL4296489
 EC50 8.4 8.4 4.0 1
OCI-LY19
CHEMBL4483262
 EC50 8.4 8.4 4.0 1
SU-DHL-16
CHEMBL4523559
 EC50 8.4 8.4 4.0 1
GA-10
CHEMBL4523569
 EC50 8.4 8.4 4.0 1
NU-DUL-1
CHEMBL4523592
 EC50 8.4 8.4 4.0 1
SK-BR-3
CHEMBL613834
 EC50 8.4 8.4 4.0 1
NCI-H358
CHEMBL614135
 EC50 8.4 8.4 4.0 1
HEC-1B cell line
CHEMBL614817
 EC50 8.4 8.4 4.0 1
BV-173
CHEMBL2366145
 EC50 8.3 8.3 5.0 1
CESS
CHEMBL2366361
 EC50 8.3 8.3 5.0 1
KCL-22
CHEMBL4296452
 EC50 8.3 8.3 5.0 1
SU-DHL-5
CHEMBL4523561
 EC50 8.3 8.3 5.0 1
CA46
CHEMBL612566
 EC50 8.3 8.3 5.0 1

Pharmacokinetic Data

Parameter Value Units Species
AUC 345.0 ng.hr/ml/mg/kg Mus musculus
CL 49.9 mL.min-1.kg-1 Mus musculus
MRT 0.3 hr Mus musculus
T1/2 8.0 hr Homo sapiens
T1/2 4.5 hr Homo sapiens
T1/2 8.0 hr Homo sapiens
T1/2 4.5 hr Homo sapiens
T1/2 8.0 hr Homo sapiens
T1/2 4.5 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Aurora kinase B/Inner centromere protein Ki = 0.38 nM 9.42 Binding affinity to human AurB/INCENP assessed as inhibition constant using auro... 19284385
Aurora kinase B/Inner centromere protein Ki = 0.38 nM 9.42 Inhibition of human Aurora B/INCENP pre-incubated for 30 mins before 5-FAM-PKAti... 28918096
Aurora kinase B Ki = 0.38 nM 9.42 Competitive inhibition of human Aurora B ATP binding site by rapid dilution meth... 20420387
Aurora kinase B Ki = 0.38 nM 9.42 Competitive inhibition of Aurora B ATP binding site 20420387
Aurora kinase B/Inner centromere protein Ki = 0.39 nM 9.41 Binding affinity to AurB/INCENP (unknown origin) assessed as inhibition constant 19567821
Unchecked EC50 = 1.0 nM 9.0 Antiproliferative activity against human PLB-985 cells assessed as inhibition of... 19567821
Aurora-C/INCENP Ki = 1.45 nM 8.84 Binding affinity to AurC/INCENP (unknown origin) assessed as inhibition constant 19567821
Aurora-C/INCENP Ki = 1.45 nM 8.84 Binding affinity to human AurC/INCENP assessed as inhibition constant using auro... 19284385
Aurora-C/INCENP Ki = 1.5 nM 8.82 Inhibition of human Aurora C/human GST-tagged INCENP pre-incubated for 30 mins b... 28918096
Aurora kinase C Ki = 1.5 nM 8.82 Competitive inhibition of human Aurora C ATP binding site 20420387
Aurora kinase C Ki = 1.5 nM 8.82 Competitive inhibition of Aurora C ATP binding site 20420387
SW48 EC50 = 2.0 nM 8.7 Antiproliferative activity against human SW48 cells assessed as inhibition of ce... 19567821
Unchecked EC50 = 2.0 nM 8.7 Antiproliferative activity against human ALL-SIL cells assessed as inhibition of... 19567821
CCRF-SB EC50 = 2.0 nM 8.7 Antiproliferative activity against human CCRF-SB cells assessed as inhibition of... 19567821
NOMO-1 EC50 = 2.0 nM 8.7 Antiproliferative activity against human NOMO-1 cells assessed as inhibition of ... 19567821
NALM-6 EC50 = 2.0 nM 8.7 Antiproliferative activity against human NALM-6 cells assessed as inhibition of ... 19567821
SUP-B15 EC50 = 2.0 nM 8.7 Antiproliferative activity against human SUP-B15 cells assessed as inhibition of... 19567821
JVM-3 EC50 = 2.0 nM 8.7 Antiproliferative activity against human JVM-3 cells assessed as inhibition of c... 19567821
ST486 EC50 = 2.0 nM 8.7 Antiproliferative activity against human ST486 cells assessed as inhibition of c... 19567821
COLO 201 EC50 = 2.0 nM 8.7 Antiproliferative activity against human COLO201 cells assessed as inhibition of... 19567821

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4689842 U2OS 262
- 10.6019/CHEMBL4689842 HEK-293T 261
- 10.6019/CHEMBL4689842 Fibroblast 261
19567821 10.1158/1535-7163.mct-09-0041 Unchecked 34
19567821 10.1158/1535-7163.mct-09-0041 ADMET 16
- 10.6019/CHEMBL3885741 Aurora kinase A 15
- 10.6019/CHEMBL5674860 Colon cancer organoid 12
- 10.6019/CHEMBL5724558 Colon cancer organoid 12
20420387 10.1021/jm901870q Unchecked 11
19567821 10.1158/1535-7163.mct-09-0041 A549 9
19284385 10.1042/bj20090121 Aurora kinase B/Inner centromere protein 8
19567821 10.1158/1535-7163.mct-09-0041 HL-60 7
- 10.6019/CHEMBL5608141 Colon cancer organoid 6
20335034 10.1016/j.bmcl.2010.02.091 A549 6
19567821 10.1158/1535-7163.mct-09-0041 Aurora kinase A 5
29191878 10.1126/science.aan4368 Unchecked 5
20420387 10.1021/jm901870q Mus musculus 5
19284385 10.1042/bj20090121 Aurora-C/INCENP 5
20420387 10.1021/jm901870q Aurora kinase B 4
19567821 10.1158/1535-7163.mct-09-0041 COLO 205 4

Data from ChEMBL 36 via Core Engine