compound 3 [PMID: 28603634]

Ligand id: 9628

Name: compound 3 [PMID: 28603634]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 99.52
Molecular weight 390.16
XLogP 4.26
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Blanco-Pillado et al.. (2016)
Dimethylbenzoic acid compounds.
Patent number: US20160251306. Assignee: Eli Lilly. Priority date: 05/08/2017. Publication date: 17/12/2013.
2. Chandrasekhar S, Yu XP, Harvey AK, Oskins JL, Lin C, Wang X, Blanco MJ, Fisher MJ, Kuklish SL, Schiffler MA et al.. (2017)
Analgesic and anti-inflammatory properties of novel, selective, and potent EP4 receptor antagonists.
Pharmacol Res Perspect, 5 (3): e00316. [PMID:28603634]