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Compound Detail

CHEMBL409892

GW305178X
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NS(=O)(=O)c1ccc(N/N=C2\C(=O)Nc3ccc4ncccc4c32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL409892
Name GW305178X
Phase Preclinical
Structure Type MOL
InChI Key KFUHNOUIIKZZNO-UHFFFAOYSA-N
10
Targets
12
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

367.4
MW (Da)
1.65
ALogP
6
HBA
3
HBD
126.5
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13N5O3S
MW 367.39
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.39

Activity Summary

IC50 12 meas. best 8.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cyclin-dependent kinase 2
CHEMBL301
 IC50 8.8 8.8 1.6 2
CDK2/Cyclin A2
CHEMBL3038469
 IC50 8.8 8.8 1.6 1
CDK1/Cyclin A
CHEMBL3038467
 IC50 7.92 7.92 12.0 1
Cyclin-dependent kinase 1
CHEMBL308
 IC50 7.92 7.92 12.0 2
Unchecked
CHEMBL612545
 IC50 6.54 6.54 290.0 1
RKO
CHEMBL614879
 IC50 6.41 6.41 390.0 1
MDA-MB-468
CHEMBL614335
 IC50 6.09 6.09 810.0 1
SW-620
CHEMBL612262
 IC50 6.06 6.06 870.0 1
HFF
CHEMBL614071
 IC50 5.72 5.72 1900.0 1
HT-29
CHEMBL384
 IC50 5.51 5.51 3100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cyclin-dependent kinase 2 IC50 = 1.6 nM 8.8 Inhibitory activity against human cyclin-dependent kinase 2 (CDK2) 11728181
Cyclin-dependent kinase 2 IC50 = 1.6 nM 8.8 Inhibition of CDK2 18271520
CDK2/Cyclin A2 IC50 = 1.6 nM 8.8 Inhibition of human CDK2/cyclinA expressed in Baculovirus infected T.ni cells us... 27391135
Cyclin-dependent kinase 1 IC50 = 12.0 nM 7.92 Inhibitory activity against human cyclin-dependent kinase 1 (CDK1) 11728181
Cyclin-dependent kinase 1 IC50 = 12.0 nM 7.92 Inhibition of CDK1 18271520
CDK1/Cyclin A IC50 = 12.0 nM 7.92 Inhibition of human CDK1/cyclinA expressed in Baculovirus infected Sf9 cells usi... 27391135
Unchecked IC50 = 290.0 nM 6.54 Inhibition of progression of cells from G1 into S-phase by BrdU incorporation as... 11728181
RKO IC50 = 390.0 nM 6.41 Inhibition of RKO tumor cell proliferation 11728181
MDA-MB-468 IC50 = 810.0 nM 6.09 Inhibition of MDA-MB468 tumor cell proliferation 11728181
SW-620 IC50 = 870.0 nM 6.06 Inhibition of SW620 tumor cell proliferation 11728181
HFF IC50 = 1900.0 nM 5.72 Inhibition of human foreskin fibroblasts (HFF) proliferation 11728181
HT-29 IC50 = 3100.0 nM 5.51 Inhibition of HT-29 tumor cell proliferation 11728181

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL1961873 Tyrosine-protein kinase ABL1 14
- 10.6019/CHEMBL1961873 Epidermal growth factor receptor 10
- 10.6019/CHEMBL1961873 Platelet-derived growth factor receptor alpha 8
- 10.6019/CHEMBL1961873 Mast/stem cell growth factor receptor Kit 8
- 10.6019/CHEMBL1961873 Proto-oncogene tyrosine-protein kinase receptor Ret 6
- 10.6019/CHEMBL1961873 Leucine-rich repeat serine/threonine-protein kinase 2 4
- 10.6019/CHEMBL1961873 Cyclin-dependent kinase 2 4
- 10.6019/CHEMBL1961873 Protein kinase C beta type 4
- 10.6019/CHEMBL1961873 Serine/threonine-protein kinase B-raf 4
- 10.6019/CHEMBL1961873 Tyrosine-protein kinase Lyn 4
- 10.6019/CHEMBL1961873 Receptor-type tyrosine-protein kinase FLT3 4
- 10.6019/CHEMBL1961873 RAC-alpha serine/threonine-protein kinase 2
- 10.6019/CHEMBL1961873 Rhodopsin kinase GRK7 2
- 10.6019/CHEMBL1961873 G protein-coupled receptor kinase 6 2
- 10.6019/CHEMBL1961873 RAC-gamma serine/threonine-protein kinase 2
- 10.6019/CHEMBL1961873 RAC-beta serine/threonine-protein kinase 2
- 10.6019/CHEMBL1961873 Protein kinase C eta type 2
- 10.6019/CHEMBL1961873 Serine/threonine-protein kinase D2 2
- 10.6019/CHEMBL1961873 Serine/threonine-protein kinase D1 2
- 10.6019/CHEMBL1961873 Serine/threonine-protein kinase D3 2

Data from ChEMBL 36 via Core Engine