CHIR-124

Ligand id: 9365

Name: CHIR-124

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 68.76
Molecular weight 419.15
XLogP 3.73
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]amino]-6-chloro-3-(1,3-dihydrobenzimidazol-2-ylidene)quinolin-2-one
Synonyms
CHIR124 | compound 11 [PMID: 6603354]
Database Links
BindingDB Ligand 50185219
CAS Registry No. 405168-58-3 (source: PubChem)
ChEMBL Ligand CHEMBL377312
PubChem CID 11502647
Search Google for chemical match using the InChIKey VBIIUHUSFOLTIU-LJQANCHMSA-N
Search Google for chemicals with the same backbone VBIIUHUSFOLTIU
Search UniChem for chemical match using the InChIKey VBIIUHUSFOLTIU-LJQANCHMSA-N
Search UniChem for chemicals with the same backbone VBIIUHUSFOLTIU
Comments
CHIR-124 is a potent cell permeable checkpoint kinase 1 (CHK1) inhibitor tool compound [1].