Ligand id: 9002

Name: BW373U86

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 47.02
Molecular weight 435.29
XLogP 4.88
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Chang KJ, Rigdon GC, Howard JL, McNutt RW. (1993)
A novel, potent and selective nonpeptidic delta opioid receptor agonist BW373U86.
J. Pharmacol. Exp. Ther., 267 (2): 852-7. [PMID:8246159]
2. Le Bourdonnec B, Windh RT, Ajello CW, Leister LK, Gu M, Chu GH, Tuthill PA, Barker WM, Koblish M, Wiant DD et al.. (2008)
Potent, orally bioavailable delta opioid receptor agonists for the treatment of pain: discovery of N,N-diethyl-4-(5-hydroxyspiro[chromene-2,4'-piperidine]-4-yl)benzamide (ADL5859).
J. Med. Chem., 51 (19): 5893-6. [PMID:18788723]