zofenoprilat

Ligand id: 6463

Name: zofenoprilat

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 121.71
Molecular weight 325.08
XLogP 3.25
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA)
Prodrug zofenopril
IUPAC Name
(2S,4S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]-4-phenylsulfanylpyrrolidine-2-carboxylic acid
International Nonproprietary Names
INN number INN
6599 zofenoprilat
Database Links
CAS Registry No. 75176-37-3
ChEMBL Ligand CHEMBL16332
DrugBank Ligand DB08766
GtoPdb PubChem SID 178103077
PubChem CID 3034048
RCSB PDB Ligand ZED
Search Google for chemical match using the InChIKey UQWLOWFDKAFKAP-WXHSDQCUSA-N
Search Google for chemicals with the same backbone UQWLOWFDKAFKAP
Search PubMed clinical trials zofenoprilat
Search PubMed titles zofenoprilat
Search PubMed titles/abstracts zofenoprilat
Search UniChem for chemical match using the InChIKey UQWLOWFDKAFKAP-WXHSDQCUSA-N
Search UniChem for chemicals with the same backbone UQWLOWFDKAFKAP
Wikipedia Zofenoprilat
Comments
Drug from metabolism of zofenopril prodrug. Note the PDB ligand structure is for a different target, not ACE