KH-CB19

Ligand id: 8055

Name: KH-CB19

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 81.04
Molecular weight 337.04
XLogP 2.11
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
ethyl 3-[(E)-2-amino-1-cyanoethenyl]-6,7-dichloro-1-methylindole-2-carboxylate
Synonyms
KH CB19
Database Links
CAS Registry No. 1354037-26-5
ChEMBL Ligand CHEMBL1236620
DrugBank Ligand DB08691
PubChem CID 44237094
RCSB PDB Ligand V25
Search Google for chemical match using the InChIKey CXJCGSPAPOTTSF-VURMDHGXSA-N
Search Google for chemicals with the same backbone CXJCGSPAPOTTSF
Search UniChem for chemical match using the InChIKey CXJCGSPAPOTTSF-VURMDHGXSA-N
Search UniChem for chemicals with the same backbone CXJCGSPAPOTTSF
SynPHARM 81086 (in complex with CDC like kinase 1)
81087 (in complex with CDC like kinase 3)
Comments
KH-CB19 is an inhibitor of dual specificity CDC-like kinase 1 (CLK1) [1].