CAPTOPRIL

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC C09AA01
UNII 9G64RSX1XD
EPA CompTox DTXSID1037197

Structure

InChI Key FAKRSMQSSFJEIM-RQJHMYQMSA-N
Smiles C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O
InChI
InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H15NO3S
Molecular Weight 217.29
AlogP 0.63
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 57.61
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 14.0

Pharmacology

Mechanism of Action Action Reference
Angiotensin-converting enzyme inhibitor INHIBITOR FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - 600 - 56.5
Enzyme Oxidoreductase
- - - - 48-61
Enzyme Protease Aspartic protease Aspartic protease AA clan Aspartic protease A1A subfamily
- - - 1.7 -
Enzyme Protease Metallo protease Metallo protease MAE clan Metallo protease M1 family
- 70 - - 59
Enzyme Protease Metallo protease Metallo protease MAE clan Metallo protease M2 family
- 2.7e-05-590 - 1.7-2 3-100
Enzyme Protease Serine protease Serine protease PA clan Serine protease S1A subfamily
- - - 48 -
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
- - - - 4-167.02
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 0.3
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bacteria
- - - 360 -
Cavia porcellus
- 9-13 - - 59
Cricetulus griseus
- - - - 105.18-167.02
Homo sapiens
- 0.12-70 - 1.7-2 0.3-95.03
Oryctolagus cuniculus
- 2.7e-05-27 - 1.7 2.7
Pseudomonas aeruginosa
- - 600 - -
Rattus norvegicus
- 3.23-70 - - -45-95
Sus scrofa
- 25-300 - - 64

Target Conservation

Protein: Angiotensin-converting enzyme
Description: Angiotensin-converting enzyme
Organism : Homo sapiens
P12821 ENSG00000159640

Cross References

Resources Reference
ChEBI 3380
ChEMBL CHEMBL1560
DrugBank DB01197
DrugCentral 484
FDA SRS 9G64RSX1XD
Human Metabolome Database HMDB0015328
Guide to Pharmacology 5158
KEGG D00251
PDB X8Z
PharmGKB PA448780
PubChem 44093
SureChEMBL SCHEMBL4
ZINC ZINC000000057001
CONTENTS