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Compound Detail

CHEMBL270054

GW280670X
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NS(=O)(=O)c1ccc(N/N=C2\C(=O)Nc3ccc(Cl)cc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL270054
Name GW280670X
Phase Preclinical
Structure Type MOL
InChI Key OSOOMYVRUVOQLW-UHFFFAOYSA-N
7
Targets
11
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

350.8
MW (Da)
1.76
ALogP
5
HBA
3
HBD
113.7
PSA (Ų)
0.73
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 C14H11ClN4O3S
MW 350.79
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.68

Activity Summary

IC50 7 meas. best 7.52
Ki 4 meas. best 8.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Carbonic anhydrase 9
CHEMBL3594
 Ki 8.08 8.08 8.3 1
Carbonic anhydrase 12
CHEMBL3242
 Ki 7.92 7.92 11.9 1
Cyclin-dependent kinase 2
CHEMBL301
 IC50 7.52 7.4075 30.0 4
CDK2/Cyclin A2
CHEMBL3038469
 IC50 7.52 7.52 30.0 1
Carbonic anhydrase 2
CHEMBL205
 Ki 7.45 7.45 35.9 1
Cyclin-dependent kinase 1
CHEMBL308
 IC50 6.52 6.52 300.0 2
Carbonic anhydrase 1
CHEMBL261
 Ki 5.74 5.74 1810.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Carbonic anhydrase 9 Ki = 8.3 nM 8.08 Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by... 31629164
Carbonic anhydrase 12 Ki = 11.9 nM 7.92 Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins b... 31629164
Cyclin-dependent kinase 2 IC50 = 30.0 nM 7.52 Inhibition of Cyclin-Dependent Kinase 2 15214773
CDK2/Cyclin A2 IC50 = 30.0 nM 7.52 Inhibition of CDK2/Cyclin A (unknown origin) using histone H1 as substrate by sc... 32539387
Carbonic anhydrase 2 Ki = 35.9 nM 7.45 Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by... 31629164
Cyclin-dependent kinase 2 IC50 = 43.0 nM 7.37 Evaluated for inhibition of human cyclin dependent kinase 2 15115396
Cyclin-dependent kinase 2 IC50 = 43.0 nM 7.37 Inhibitory activity against human cyclin-dependent kinase 2 (CDK2) 11728181
Cyclin-dependent kinase 2 IC50 = 43.0 nM 7.37 Inhibition of CDK2 18271520
Cyclin-dependent kinase 1 IC50 = 300.0 nM 6.52 Inhibitory activity against human cyclin-dependent kinase 1 (CDK1) 11728181
Cyclin-dependent kinase 1 IC50 = 300.0 nM 6.52 Inhibition of CDK1 18271520
Carbonic anhydrase 1 Ki = 1810.2 nM 5.74 Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by... 31629164

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 Cyclin-dependent kinase 2 4
- 10.6019/CHEMBL1961873 Protein kinase C beta type 4
- 10.6019/CHEMBL1961873 Leucine-rich repeat serine/threonine-protein kinase 2 4
- 10.6019/CHEMBL1961873 Serine/threonine-protein kinase B-raf 4
- 10.6019/CHEMBL1961873 Receptor-type tyrosine-protein kinase FLT3 4
- 10.6019/CHEMBL1961873 Tyrosine-protein kinase Lyn 4
- 10.6019/CHEMBL1961873 Rhodopsin kinase GRK7 2
- 10.6019/CHEMBL1961873 Ribosomal protein S6 kinase alpha-4 2
- 10.6019/CHEMBL1961873 Ribosomal protein S6 kinase alpha-5 2
- 10.6019/CHEMBL1961873 Serine/threonine-protein kinase MRCK beta 2
- 10.6019/CHEMBL1961873 Serine/threonine-protein kinase MRCK alpha 2
- 10.6019/CHEMBL1961873 G protein-coupled receptor kinase 6 2
- 10.6019/CHEMBL1961873 RAC-alpha serine/threonine-protein kinase 2
- 10.6019/CHEMBL1961873 Serine/threonine-protein kinase D3 2
- 10.6019/CHEMBL1961873 Serine/threonine-protein kinase D2 2

Data from ChEMBL 36 via Core Engine