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
Comments
This is the prodrug of candoxitrilat. This ligand is represented in PubChem by the entry CID 5362417.
Database Links
CAS Registry No. 123122-55-4 (source: Scifinder)
ChEBI CHEBI:3353
DrugBank Ligand DB00616
GtoPdb PubChem SID 178103106
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