ENALAPRILAT

/static/temp/default.svg Search structure
Trade Names
Synonyms
Status
Molecule Category Mixture
UNII GV0O7ES0R3
EPA CompTox DTXSID901004963

Structure

InChI Key LZFZMUMEGBBDTC-QEJZJMRPSA-N
Smiles C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O
InChI
InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H28N2O7
Molecular Weight 384.43
AlogP 1.13
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 8.0
Polar Surface Area 106.94
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 25.0

Pharmacology

Mechanism of Action Action Reference
Angiotensin-converting enzyme inhibitor INHIBITOR FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Metallo protease Metallo protease MAE clan Metallo protease M2 family
- 0.95-11.5 - 0.5-1.4 74
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bothrops jararaca
- 1.2 - - -
Cavia porcellus
- 2.4 - - -
Homo sapiens
- 2.5 - - -
Mus musculus
- 11.5 - - -
Oryctolagus cuniculus
- 1.2-8.8 - 1.4 74
Rattus norvegicus
- 9.6 - - 11-90
Sus scrofa
- 1.2-2.9 - - -

Target Conservation

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

Cross References

Resources Reference
CAS NUMBER 84680-54-6
ChEBI 59877
ChEMBL CHEMBL3989406
FDA SRS GV0O7ES0R3
Guide to Pharmacology 6332
KEGG C11720
PDB EAL
PubChem 6917719
SureChEMBL SCHEMBL37288
ZINC ZINC03812851
CAS NUMBER 84680-54-6
ChEBI 4786
ChEMBL CHEMBL577
DrugBank DB09477
DrugCentral 1006
FDA SRS GV0O7ES0R3
Human Metabolome Database HMDB0041886
Guide to Pharmacology 6332
KEGG C11720
PDB EAL
PubChem 6917719
SureChEMBL SCHEMBL37289
ZINC ZINC000003812851
CONTENTS