candoxatril

Ligand id: 6492

Name: candoxatril

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 14
Topological polar surface area 111.16
Molecular weight 515.29
XLogP 4.63
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Is prodrug? Yes
Active form candoxatrilat
IUPAC Name
cis-4-{[(1-{(2S)-3-(2,3-dihydro-1H-inden-5-yloxy)-2-[(2-methoxyethoxy)methyl]-3-oxopropyl}cyclopentyl)carbonyl]amino}cyclohexanecarboxylic acid
International Nonproprietary Names
INN number INN
6558 candoxatril
Database Links
CAS Registry No. 123122-55-4 (source: Scifinder)
ChEBI CHEBI:3353
DrugBank Ligand DB00616
PubChem CID 5362417
Search Google for chemical match using the InChIKey ZTWZVMIYIIVABD-OEMFJLHTSA-N
Search Google for chemicals with the same backbone ZTWZVMIYIIVABD
Search PubMed clinical trials candoxatril
Search PubMed titles candoxatril
Search PubMed titles/abstracts candoxatril
Search UniChem for chemical match using the InChIKey ZTWZVMIYIIVABD-OEMFJLHTSA-N
Search UniChem for chemicals with the same backbone ZTWZVMIYIIVABD
Wikipedia Candoxatril
Comments
This is the prodrug of candoxitrilat. This ligand is represented in PubChem by the entry CID 5362417.