Ligand id: 9294

Name: BU08028

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 62.16
Molecular weight 481.32
XLogP 4.44
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Cami-Kobeci G, Polgar WE, Khroyan TV, Toll L, Husbands SM. (2011)
Structural determinants of opioid and NOP receptor activity in derivatives of buprenorphine.
J. Med. Chem., 54 (19): 6531-7. [PMID:21866885]
2. Khroyan TV, Polgar WE, Cami-Kobeci G, Husbands SM, Zaveri NT, Toll L. (2011)
The first universal opioid ligand, (2S)-2-[(5R,6R,7R,14S)-N-cyclopropylmethyl-4,5-epoxy-6,14-ethano-3-hydroxy-6-methoxymorphinan-7-yl]-3,3-dimethylpentan-2-ol (BU08028): characterization of the in vitro profile and in vivo behavioral effects in mouse models of acute pain and cocaine-induced reward.
J. Pharmacol. Exp. Ther., 336 (3): 952-61. [PMID:21177476]