Ligand id: 8096

Name: BIBF-1202

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 105.22
Molecular weight 525.24
XLogP 4.65
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Davis MI, Hunt JP, Herrgard S, Ciceri P, Wodicka LM, Pallares G, Hocker M, Treiber DK, Zarrinkar PP. (2011)
Comprehensive analysis of kinase inhibitor selectivity.
Nat. Biotechnol., 29 (11): 1046-51. [PMID:22037378]
2. Stopfer P, Rathgen K, Bischoff D, L├╝dtke S, Marzin K, Kaiser R, Wagner K, Ebner T. (2011)
Pharmacokinetics and metabolism of BIBF 1120 after oral dosing to healthy male volunteers.
Xenobiotica, 41 (4): 297-311. [PMID:21204634]