ENALAPRIL MALEATE

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Trade Names
Synonyms
Status
Molecule Category Mixture
UNII 9O25354EPJ
EPA CompTox DTXSID30896796

Structure

InChI Key OYFJQPXVCSSHAI-QFPUQLAESA-N
Smiles CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O.O=C(O)/C=C\C(=O)O
InChI
InChI=1S/C20H28N2O5.C4H4O4/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25;5-3(6)1-2-4(7)8/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25);1-2H,(H,5,6)(H,7,8)/b;2-1-/t14-,16-,17-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H32N2O9
Molecular Weight 492.53
AlogP 1.6
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 95.94
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 27.0

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
- - - - 110.91-190.09
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 110.91-190.09

Target Conservation

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

Cross References

Resources Reference
CAS NUMBER 76095-16-4
ChEBI 4785
ChEMBL CHEMBL1200659
FDA SRS 9O25354EPJ
Guide to Pharmacology 6322
KEGG C06977
PubChem 5388961
SureChEMBL SCHEMBL9
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