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

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2015))
IUPAC Name
5-[[[(2S)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)propanoyl]-[(1S)-1-(4-phenyl-3H-imidazol-2-yl)ethyl]amino]methyl]-2-methoxybenzoic acid
International Nonproprietary Names
INN number INN
9749 eluxadoline
Synonyms
JNJ-27018966
Database Links
CAS Registry No. 864821-90-9
ChEMBL Ligand CHEMBL2159122
PubChem CID 11250029
Search Google for chemical match using the InChIKey QFNHIDANIVGXPE-FNZWTVRRSA-N
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Search UniChem for chemical match using the InChIKey QFNHIDANIVGXPE-FNZWTVRRSA-N
Search UniChem for chemicals with the same backbone QFNHIDANIVGXPE
Wikipedia Eluxadoline
Comments
Eluxadoline is a first-in-class, locally-acting dual μ-opioid receptor agonist and δ-opioid receptor antagonist [1-2].