CP 99994

Ligand id: 2102

Name: CP 99994

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 33.29
Molecular weight 296.19
XLogP 4.97
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Anthes JC, Chapman RW, Richard C, Eckel S, Corboz M, Hey JA, Fernandez X, Greenfeder S, McLeod R, Sehring S, Rizzo C, Crawley Y, Shih NY, Piwinski J, Reichard G, Ting P, Carruthers N, Cuss FM, Billah M, Kreutner W, Egan RW. (2002)
SCH 206272: a potent, orally active tachykinin NK(1), NK(2), and NK(3) receptor antagonist.
Eur J Pharmacol, 450: 191-202. [PMID:12206858]
2. Sarau HM, Griswold DE, Potts W, Foley JJ, Schmidt DB, Webb EF, Martin LD, Brawner ME, Elshourbagy NA, Medhurst AD, Giardina GA, Hay DW. (1997)
Nonpeptide tachykinin receptor antagonists: I. Pharmacological and pharmacokinetic characterization of SB 223412, a novel, potent and selective neurokinin-3 receptor antagonist.
J Pharmacol Exp Ther, 281: 1303-1311. [PMID:9190866]