BLU9931

Ligand id: 8862

Name: BLU9931

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 85.37
Molecular weight 508.11
XLogP 4.99
No. Lipinski's rules broken 0

Molecular properties generated using the CDK
Classification
Compound class Synthetic organic
IUPAC Name
N-[2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]-3-methylphenyl]prop-2-enamide
Comments
BLU9931 is a selective and irreversible (covalent) inhibitor of the receptor tyrosine kinase, fibroblast growth factor receptor 4 (FGFR4) [1]. The compound is being investigated for its anti-tumour action in hepatocellular carcinomas (HCC) where the fibroblast growth factor 19 (FGF19)/FGFR4 signaling pathway is activated by genetic alteration.
Database Links
GtoPdb PubChem SID 252827519
PubChem CID 72710839
RCSB PDB Ligand 40M
Search Google for chemical match using the InChIKey TXEBNKKOLVBTFK-UHFFFAOYSA-N
Search Google for chemicals with the same backbone TXEBNKKOLVBTFK
Search UniChem for chemical match using the InChIKey TXEBNKKOLVBTFK-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone TXEBNKKOLVBTFK
SynPHARM 82936 (in complex with fibroblast growth factor receptor 4)