Ligand id: 9338

Name: AM6538

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 102.53
Molecular weight 541.13
XLogP 6.46
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Hua T, Vemuri K, Pu M, Qu L, Han GW, Wu Y, Zhao S, Shui W, Li S, Korde A et al.. (2016)
Crystal Structure of the Human Cannabinoid Receptor CB1.
Cell, 167 (3): 750-762.e14. [PMID:27768894]
2. Makriyannis A, Vemuri VK, Thotapally R, Olszewska T. (2010)
Novel hetero pyrrole analogs acting on cannapinoid receptors.
Patent number: WO2010104488. Assignee: University Of Connecticut. Priority date: 19/02/2009. Publication date: 16/09/2010.