nelivaptan

Ligand id: 2202

Name: nelivaptan

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 134.3
Molecular weight 629.16
XLogP 2.77
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Griffante C, Green A, Curcuruto O, Haslam CP, Dickinson BA, Arban R. (2005)
Selectivity of d[Cha4]AVP and SSR149415 at human vasopressin and oxytocin receptors: evidence that SSR149415 is a mixed vasopressin V1b/oxytocin receptor antagonist.
Br J Pharmacol, 146: 744-751. [PMID:16158071]
2. Serradeil-Le Gal C, Wagnon J, Simiand J, Griebel G, Lacour C, Guillon G, Barberis C, Brossard G, Soubrie P, Nisato D, Pascal M, Pruss R, Scatton B, Maffrand JP, Le Fur G. (2002)
Characterization of (2S,4R)-1-[5-chloro-1-[(2,4-dimethoxyphenyl)sulfonyl]-3-(2-methoxy-phenyl)-2-oxo-2,3-dihydro-1H-indol-3-yl]-4-hydroxy-N,N-dimethyl-2-pyrrolidine carboxamide (SSR149415), a selective and orally active vasopressin V1b receptor antagonist.
J Pharmacol Exp Ther, 300: 1122-1130. [PMID:11861823]