Ligand id: 589

Name: irbesartan

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 87.13
Molecular weight 428.23
XLogP 7.21
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Dong Z, Ekins S, Polli JE. (2013)
Structure-activity relationship for FDA approved drugs as inhibitors of the human sodium taurocholate cotransporting polypeptide (NTCP).
Mol. Pharm., 10 (3): 1008-19. [PMID:23339484]
2. Vanderheyden PML, Fierens FLP, De Backer JP, Frayman N, Vauquelin G. (1999)
Distinction between surmountable and insurmountable selective AT1 receptor antagonists by use of CHO-K1 cells expressing human angiotensin II AT1 receptors.
Br. J. Pharmacol., 126: 1057-1065. [PMID:10193788]