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
SMILES / InChI / InChIKey
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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
InChI Key CMPAGYDKASJORH-YSSFQJQWSA-N
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
RS-10029
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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