ENALAPRIL

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC C09AA02
UNII 69PN84IO1A
EPA CompTox DTXSID5022982

Structure

InChI Key GBXSMTUPTTWBMN-XIRDDKMYSA-N
Smiles CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O
InChI
InChI=1S/C20H28N2O5/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/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25)/t14-,16-,17-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H28N2O5
Molecular Weight 376.45
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

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Metallo protease Metallo protease MAE clan Metallo protease M2 family
- 1.2-800 - - 55-90
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Angiotensin receptor
- - - - 50
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - -7.5-19.7
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 14.6
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC47 family of multidrug and toxin extrusion transporters
- - - - 23
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- 140-140 - - -
Homo sapiens
- - - - -7.5-23
Oryctolagus cuniculus
- 2-800 - - 90
Rattus norvegicus
- - - - 42.9-100
Sus scrofa
- - - - 55

Related Entries

Cross References

Resources Reference
CAS NUMBER 75847-73-3
ChEBI 4784
ChEMBL CHEMBL578
DrugBank DB00584
DrugCentral 1005
FDA SRS 69PN84IO1A
Human Metabolome Database HMDB0014722
Guide to Pharmacology 6322
KEGG C06977
PubChem 5388962
SureChEMBL SCHEMBL18
ZINC ZINC000003791297
CONTENTS