BENAZEPRIL

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Synonyms
Status
Molecule Category Free-form
ATC C09AA07
UNII UDM7Q7QWP8
EPA CompTox DTXSID5022645

Structure

InChI Key XPCFTKFZXHTYIP-PMACEKPBSA-N
Smiles CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(=O)O)C1=O
InChI
InChI=1S/C24H28N2O5/c1-2-31-24(30)20(14-12-17-8-4-3-5-9-17)25-19-15-13-18-10-6-7-11-21(18)26(23(19)29)16-22(27)28/h3-11,19-20,25H,2,12-16H2,1H3,(H,27,28)/t19-,20-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H28N2O5
Molecular Weight 424.5
AlogP 2.57
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 2.0
Heavy Atoms 31.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Metallo protease Metallo protease MAE clan Metallo protease M2 family
- 1.7-212 - - 16-100
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Oryctolagus cuniculus
- 2-212 - - -

Related Entries

Cross References

Resources Reference
ChEBI 3011
ChEMBL CHEMBL838
DrugBank DB00542
DrugCentral 299
FDA SRS UDM7Q7QWP8
Human Metabolome Database HMDB0014682
Guide to Pharmacology 6374
KEGG C06843
PharmGKB PA448561
PubChem 5362124
SureChEMBL SCHEMBL16396
ZINC ZINC000003781943
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