BMS-582949

Ligand id: 7838

Name: BMS-582949

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 100.42
Molecular weight 406.21
XLogP 2.46
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]amino]-5-methyl-N-propylpyrrolo[5,1-f][1,2,4]triazine-6-carboxamide
Synonyms
BMS 582949 | BMS582949 | PS 540446 | PS-540446 | PS540446
Database Links
CAS Registry No. 623152-17-0
ChEMBL Ligand CHEMBL1230065
PubChem CID 10409068
RCSB PDB Ligand 38P
Search Google for chemical match using the InChIKey GDTQLZHHDRRBEB-UHFFFAOYSA-N
Search Google for chemicals with the same backbone GDTQLZHHDRRBEB
Search UniChem for chemical match using the InChIKey GDTQLZHHDRRBEB-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone GDTQLZHHDRRBEB
SynPHARM 80672 (in complex with mitogen-activated protein kinase 14)
Comments
BMS-582949 is an inhibitor of p38 mitogen-activated protein kinase (MAPK). Its discovery is described in [1].