BLU9931

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Ligands
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

IUPAC Name

N-[2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]-3-methylphenyl]prop-2-enamide

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)

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.

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.