Structure

InChI Key HDACQVRGBOVJII-JBDAPHQKSA-N
Smiles CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCC[C@@H]21
InChI
InChI=1S/C23H32N2O5/c1-3-30-23(29)18(13-12-16-8-5-4-6-9-16)24-15(2)21(26)25-19-11-7-10-17(19)14-20(25)22(27)28/h4-6,8-9,15,17-20,24H,3,7,10-14H2,1-2H3,(H,27,28)/t15-,17-,18-,19-,20-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H32N2O5
Molecular Weight 416.52
AlogP 2.38
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 30.0

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
- 4-253 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 25.12 - - -
Oryctolagus cuniculus
- 253-253 - - -

Target Conservation

Protein: Angiotensin-converting enzyme

Description: Angiotensin-converting enzyme

Organism : Homo sapiens

P12821 ENSG00000159640

Environmental Exposure

Countries
Slovenia

Cross References

Resources Reference
ChEBI 8774
ChEMBL CHEMBL1168
DrugBank DB00178
DrugCentral 2356
FDA SRS L35JN3I7SJ
Human Metabolome Database HMDB0014324
Guide to Pharmacology 6339
PharmGKB PA451223
SureChEMBL SCHEMBL16059
ZINC ZINC000003798757