Structure

InChI Key HDACQVRGBOVJII-JBDAPHQKSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Angiotensin-converting enzyme inhibitor FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Metallo protease Metallo protease MAE clan Metallo protease M2 family
- 253-253 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Coronary Disease 4 D003327 ClinicalTrials
Diabetes Mellitus 4 D003920 ClinicalTrials
Myocardial Infarction 4 D009203 ClinicalTrials
Glucose Intolerance 3 D018149 ClinicalTrials
Atherosclerosis 3 D050197 ClinicalTrials
Glomerulonephritis 3 D005921 ClinicalTrials
Atrial Flutter 3 D001282 ClinicalTrials
Renal Insufficiency, Chronic 3 D051436 ClinicalTrials
Diabetes Mellitus, Type 1 3 D003922 ClinicalTrials
Heart Diseases 3 D006331 ClinicalTrials
Diabetic Nephropathies 3 D003928 ClinicalTrials
Atrial Fibrillation 3 D001281 ClinicalTrials
Myocardial Ischemia 3 D017202 ClinicalTrials
Hypercholesterolemia 3 D006937 ClinicalTrials
Metabolic Diseases 3 D008659 ClinicalTrials
Diabetes Mellitus, Type 2 3 D003924 ClinicalTrials
Albuminuria 3 D000419 ClinicalTrials
Severe Acute Respiratory Syndrome 2 D045169 ClinicalTrials
Lupus Erythematosus, Systemic 2 D008180 ClinicalTrials
Arthritis, Rheumatoid 2 D001172 ClinicalTrials
Kidney Diseases 2 D007674 ClinicalTrials
Metabolic Syndrome 0 D024821 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 8774
ChEMBL CHEMBL1168
DrugBank DB00178
DrugCentral 2356
EPA CompTox DTXSID8023551
FDA SRS L35JN3I7SJ
Human Metabolome Database HMDB0014324
Guide to Pharmacology 6339
PharmGKB PA451223
SureChEMBL SCHEMBL16059
ZINC ZINC000003798757