General
Preferred name
GSK237701A
Synonyms
5-[5,6-BIS(METHYLOXY)-1H-BENZIMIDAZOL-1-YL]-3-{[1-(2-CHLOROPHENYL)ETHYL]OXY}-2-THIOPHENECARBOXAMIDE ()
GSK-237701A ()
3-[(1R)-1-(2-Chlorophenyl)ethoxy]-5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)thiophene-2-carboxamide ()
P&D ID
PD004043
CAS
862813-28-3
Tags
drug candidate
Drug Status
experimental
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
3-[(1R)-1-(2-Chlorophenyl)ethoxy]-5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)thiophene-2-carboxamide inhibits Polo-like kinases with IC50s values of 6 and 0.8 nM for PLK3 and PLK1, respectively.
(Enamine Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
1
Organisms
0
Compound Sets
6
Chemical proteomics reveals the target landscape of 1,000 kinase inhibitors
DrugBank
Enamine Bioactive Compounds
GSK Published Kinase Inhibitor Set
Kinase Chemogenomic Set (KCGS 08/2017, in progress)
Kinase Chemogenomic Set (KCGS)
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
15
Molecular Weight
457.09
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
1
Rotatable Bonds
7
Ring Count
4
Aromatic Ring Count
4
cLogP
5.0
TPSA
88.6
Fraction CSP3
0.18
Chiral centers
1.0
Largest ring
6.0
QED
0.42
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
PLK1
NEK9, PDGFRB, PDGFRA, PLK1
PLK
Source data
