cilazaprilat

Ligand id: 6461

Name: cilazaprilat

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 110.18
Molecular weight 389.2
XLogP 3.44
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes
Prodrug cilazapril
IUPAC Name
(1S,9S)-9-[[(2S)-1-hydroxy-1-oxo-4-phenylbutan-2-yl]amino]-10-oxo-1,2,3,4,6,7,8,9-octahydropyridazino[1,2-a]diazepine-1-carboxylic acid
International Nonproprietary Names
INN number INN
5811 cilazaprilat
Synonyms
Ro 31-3113
Database Links
CAS Registry No. 90139-06-3
ChEMBL Ligand CHEMBL2104578
GtoPdb PubChem SID 178103075
PubChem CID 64766
Search Google for chemical match using the InChIKey UVAUYSRYXACKSC-ULQDDVLXSA-N
Search Google for chemicals with the same backbone UVAUYSRYXACKSC
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Search UniChem for chemical match using the InChIKey UVAUYSRYXACKSC-ULQDDVLXSA-N
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Comments
Active compound derived by metabolism of prodrug cilazapril. Technically this compound is not an approved drug, as the approved drug is administered as a prodrug which is then metabolised to this active form. We mark both the prodrug and active form as 'approved' for clarity. Note that the prodrug, cilazapril, does not appear to have marketing approval for human use in the US or EU, although individual countries may have approved use of this drug.