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

References
1. Liu C, Lin J, Wrobleski ST, Lin S, Hynes J, Wu H, Dyckman AJ, Li T, Wityak J, Gillooly KM et al.. (2010)
Discovery of 4-(5-(cyclopropylcarbamoyl)-2-methylphenylamino)-5-methyl-N-propylpyrrolo[1,2-f][1,2,4]triazine-6-carboxamide (BMS-582949), a clinical p38α MAP kinase inhibitor for the treatment of inflammatory diseases.
J. Med. Chem.53 (18): 6629-39. [PMID:20804198]