moexiprilat   Click here for help

GtoPdb Ligand ID: 6572

Synonyms: RS-10029
Approved drug
moexiprilat is an approved drug
Compound class: Synthetic organic
Comment: Moexiprilat is the in vivo formed, active form of the prodrug moexipril. Moexiprilat is an ACE inhibitor.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 125.4
Molecular weight 470.21
XLogP 1.98
No. Lipinski's rules broken 0
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Canonical SMILES COc1cc2CC(C(=O)O)N(Cc2cc1OC)C(=O)C(NC(C(=O)O)CCc1ccccc1)C
Isomeric SMILES COc1cc2C[C@@H](C(=O)O)N(Cc2cc1OC)C(=O)[C@@H](N[C@H](C(=O)O)CCc1ccccc1)C
InChI InChI=1S/C25H30N2O7/c1-15(26-19(24(29)30)10-9-16-7-5-4-6-8-16)23(28)27-14-18-13-22(34-3)21(33-2)12-17(18)11-20(27)25(31)32/h4-8,12-13,15,19-20,26H,9-11,14H2,1-3H3,(H,29,30)(H,31,32)/t15-,19-,20-/m0/s1
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes
Prodrug moexipril
IUPAC Name Click here for help
(3S)-2-[(2S)-2-[[(2S)-1-hydroxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
International Nonproprietary Names Click here for help
INN number INN
6946 moexiprilat
Synonyms Click here for help
Database Links Click here for help
Specialist databases
Reactome Drug Reactome logo R-ALL-9707129, R-ALL-9707111
Reactome Reaction Reactome logo R-HSA-9614933, R-HSA-9619034
Other databases
CAS Registry No. 103775-14-0 (source: PubChem)
ChEMBL Ligand CHEMBL1201405
GtoPdb PubChem SID 178103186
PubChem CID 55331
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UniChem Compound Search for chemical match using the InChIKey CMPAGYDKASJORH-YSSFQJQWSA-N
UniChem Connectivity Search for chemical match using the InChIKey CMPAGYDKASJORH-YSSFQJQWSA-N