SB-431542

Ligand id: 8216

Name: SB-431542

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 103.12
Molecular weight 384.12
XLogP 3.51
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]benzamide
Synonyms
compound 14 [1] | SB431542
Database Links
CAS Registry No. 301836-41-9
ChEMBL Ligand CHEMBL440084
PubChem CID 4521392
RCSB PDB Ligand 85, 085
Search Google for chemical match using the InChIKey FHYUGAJXYORMHI-UHFFFAOYSA-N
Search Google for chemicals with the same backbone FHYUGAJXYORMHI
Search UniChem for chemical match using the InChIKey FHYUGAJXYORMHI-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone FHYUGAJXYORMHI
SynPHARM 81808 (in complex with transforming growth factor beta receptor 1)
Wikipedia SB-431542
Comments
SB-431542 is reported as an ATP-competitive inhibitor of a group of related activin receptor-like kinases; ALK5 (TGFBR1) [1], ALK4 (ACVR1B) and ALK7 (ACVR1C) [2], which belong to the type I receptor serine/threonine kinase family. SB-431542 acts as a selective inhibitor of endogenous activin and TGFβ signalling but has no effect on bone morphogenetic protein signalling through the more divergent ALKs of the type I receptor serine/threonine kinase family.