candoxatrilat

Ligand id: 6491

Name: candoxatrilat

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 12
Topological polar surface area 122.16
Molecular weight 399.23
XLogP 0.89
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Prodrug candoxatril
IUPAC Name
cis-4-[({1-[(2S)-2-carboxy-3-(2-methoxyethoxy)propyl]cyclopentyl}carbonyl)amino]cyclohexanecarboxylic acid
International Nonproprietary Names
INN number INN
6557 candoxatrilat
Synonyms
UK-69578
Database Links
CAS Registry No. 123122-54-3 (source: PubChem)
ChEBI CHEBI:3354
ChEMBL Ligand CHEMBL434492
PubChem CID 443380
Search Google for chemical match using the InChIKey ACZWIDANLCXHBM-HRCADAONSA-N
Search Google for chemicals with the same backbone ACZWIDANLCXHBM
Search PubMed clinical trials candoxatrilat
Search PubMed titles candoxatrilat
Search PubMed titles/abstracts candoxatrilat
Search UniChem for chemical match using the InChIKey ACZWIDANLCXHBM-HRCADAONSA-N
Search UniChem for chemicals with the same backbone ACZWIDANLCXHBM
Comments
Drug produced by metabolism of candoxatril prodrug. This ligand is represented in PubChem by the entry CID 443380.