compound 24 [PMID: 26987013 ]

Ligand id: 9252

Name: compound 24 [PMID: 26987013 ]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 118.87
Molecular weight 499.1
XLogP 4.94
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Bakthavatchalam R, Basu MK, Behera AK, Venkateshappa C, Hewson CA, Kadnur SV, Kalindjian SB, Kulkarni B, Saxena R, Suresh J et al.. (2015)
Compounds useful as ccr9 modulators.
Patent number: WO2015097121. Assignee: Norgine B.V.. Priority date: 23/12/2013. Publication date: 02/07/2015.
2. Kalindjian SB, Kadnur SV, Hewson CA, Venkateshappa C, Juluri S, Kristam R, Kulkarni B, Mohammed Z, Saxena R, Viswanadhan VN et al.. (2016)
A New Series of Orally Bioavailable Chemokine Receptor 9 (CCR9) Antagonists; Possible Agents for the Treatment of Inflammatory Bowel Disease.
J. Med. Chem., 59 (7): 3098-111. [PMID:26987013]