relenopride

Ligand id: 8427

Name: relenopride

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 119.91
Molecular weight 492.19
XLogP 2.82
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[(1S)-3-[4-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]piperidin-1-yl]-1-(4-fluorophenyl)propyl] carbamate
International Nonproprietary Names
INN number INN
9919 relenopride
Synonyms
YKP10811
Database Links
CAS Registry No. 1221416-43-8
PubChem CID 45275554
Search Google for chemical match using the InChIKey KGMMSPVVHZGPHL-NRFANRHFSA-N
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Search UniChem for chemical match using the InChIKey KGMMSPVVHZGPHL-NRFANRHFSA-N
Search UniChem for chemicals with the same backbone KGMMSPVVHZGPHL
Comments
Relenopride (YKP10811) is a partial agonist which is selective for the serotonin 5-HT4 receptor [3].