eluxadoline

Ligand id: 7691

Name: eluxadoline

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 12
Topological polar surface area 164.63
Molecular weight 569.26
XLogP 5.36
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

References
1. Breslin HJ, Diamond CJ, Kavash RW, Cai C, Dyatkin AB, Miskowski TA, Zhang SP, Wade PR, Hornby PJ, He W. (2012)
Identification of a dual δ OR antagonist/μ OR agonist as a potential therapeutic for diarrhea-predominant Irritable Bowel Syndrome (IBS-d).
Bioorg. Med. Chem. Lett.22 (14): 4869-72. [PMID:22695132]
2. Trinkley KE, Nahata MC. (2014)
Medication management of irritable bowel syndrome.
Digestion89 (4): 253-67. [PMID:24992947]