PERINDOPRIL ERBUMINE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 1964X464OJ
EPA CompTox DTXSID1044198
Parent Compound: PERINDOPRIL

Structure

InChI Key IYNMDWMQHSMDDE-MHXJNQAMSA-N
Smiles CC(C)(C)N.CCC[C@H](N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)OCC
InChI
InChI=1S/C19H32N2O5.C4H11N/c1-4-8-14(19(25)26-5-2)20-12(3)17(22)21-15-10-7-6-9-13(15)11-16(21)18(23)24;1-4(2,3)5/h12-16,20H,4-11H2,1-3H3,(H,23,24);5H2,1-3H3/t12-,13-,14-,15-,16-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H43N3O5
Molecular Weight 441.61
AlogP 1.94
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 95.94
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 26.0

Pharmacology

Mechanism of Action Action Reference
Angiotensin-converting enzyme inhibitor INHIBITOR FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 81.39-107.51
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 81.39-107.51

Target Conservation

Protein: Angiotensin-converting enzyme
Description: Angiotensin-converting enzyme
Organism : Homo sapiens
P12821 ENSG00000159640

Cross References

Resources Reference
ChEBI 8025
ChEMBL CHEMBL1200343
FDA SRS 1964X464OJ
KEGG C07707
PubChem 441313
SureChEMBL SCHEMBL41679
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