trandolaprilat

Ligand id: 6455

Name: trandolaprilat

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 106.94
Molecular weight 402.22
XLogP 4.74
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1996))
Prodrug trandolapril
IUPAC Name
(2S,3aR,7aS)-1-[(2S)-2-[[(2S)-1-hydroxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
International Nonproprietary Names
INN number INN
6370 trandolaprilat
Database Links
ChEMBL Ligand CHEMBL1201387
GtoPdb PubChem SID 178103070
PubChem CID 5464097
RCSB PDB Ligand X93
Search Google for chemical match using the InChIKey AHYHTSYNOHNUSH-HXFGRODQSA-N
Search Google for chemicals with the same backbone AHYHTSYNOHNUSH
Search PubMed clinical trials trandolaprilat
Search PubMed titles trandolaprilat
Search PubMed titles/abstracts trandolaprilat
Search UniChem for chemical match using the InChIKey AHYHTSYNOHNUSH-HXFGRODQSA-N
Search UniChem for chemicals with the same backbone AHYHTSYNOHNUSH
Comments
Generated by metabolic conversion of the prodrug trandolapril