Structure

InChI Key LZFZMUMEGBBDTC-QEJZJMRPSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Angiotensin-converting enzyme inhibitor FDA
Primary Target
Angiotensin-converting enzyme
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Metallo protease Metallo protease MAE clan Metallo protease M2 family
- 1-3100 - 1 74

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Cardiomyopathy, Dilated 3 D002311 ClinicalTrials
Hypertension 3 D006973 ClinicalTrials

Related Entries

MCS

Scaffolds

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Immune system disorders
21.62
Nervous system disorders
13.51
Investigations
10.81
General disorders and administration site conditions
8.11
Eye disorders
5.41
Gastrointestinal disorders
5.41
Musculoskeletal and connective tissue disorders
5.41
Psychiatric disorders
5.41
Renal and urinary disorders
5.41
Respiratory, thoracic and mediastinal disorders
5.41
Vascular disorders
5.41
Cardiac disorders
2.7
Metabolism and nutrition disorders
2.7
Skin and subcutaneous tissue disorders
2.7

Cross References

Resources Reference
CAS NUMBER 76420-72-9
ChEBI 59877
ChEMBL CHEMBL3989406
FDA SRS GV0O7ES0R3
Guide to Pharmacology 6332
KEGG C11720
PDB EAL
PubChem 6917719
SureChEMBL SCHEMBL37288
ZINC ZINC03812851
CAS NUMBER 76420-72-9
ChEBI 4786
ChEMBL CHEMBL577
DrugBank DB09477
DrugCentral 1006
EPA CompTox DTXSID0048975
FDA SRS Q508Q118JM
Human Metabolome Database HMDB0041886
Guide to Pharmacology 6332
KEGG C11720
PDB EAL
PubChem 6917719
SureChEMBL SCHEMBL37289
ZINC ZINC000003812851