bosentan

Ligand id: 3494

Name: bosentan

IUPHAR Pharmacology Education Project (PEP) logo

View more information in the IUPHAR Pharmacology Education Project: bosentan

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 154.03
Molecular weight 551.18
XLogP 5.26
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

References
1. Clozel M, Breu V, Gray GA, Kalina B, Loffler BM, Burri K, Cassal JM, Hirth G, Muller M, Neidhart W et al.. (1994)
Pharmacological characterization of bosentan, a new potent orally active nonpeptide endothelin receptor antagonist.
J. Pharmacol. Exp. Ther.270: 228-235. [PMID:8035319]
2. Murugesan N, Gu Z, Spergel S, Young M, Chen P, Mathur A, Leith L, Hermsmeier M, Liu EC, Zhang R et al.. (2003)
Biphenylsulfonamide endothelin receptor antagonists. 4. Discovery of N-[[2'-[[(4,5-dimethyl-3-isoxazolyl)amino]sulfonyl]-4-(2-oxazolyl)[1,1'-biphenyl]- 2-yl]methyl]-N,3,3-trimethylbutanamide (BMS-207940), a highly potent and orally active ET(A) selective antagonist.
J. Med. Chem.46 (1): 125-37. [PMID:12502366]