CAPTOPRIL

Search structure
Trade Names:
Synonyms:
Status: Approved (1981)
Entry Type: Small molecule
Molecule Category: Parent
ATC: C09AA01
UNII: 9G64RSX1XD

Structure
InChI Key FAKRSMQSSFJEIM-RQJHMYQMSA-N
Smile 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

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 Hydrolase
- 49800-50119 14000-14125 17900 57
Enzyme Oxidoreductase
- - - 12000 48
Enzyme Protease Aspartic protease Aspartic protease AA clan Aspartic protease A1A subfamily
- - - 2 -
Enzyme Protease Metallo protease Metallo protease MAE clan Metallo protease M1 family
- 70-14000 6250-8470 3700 59
Enzyme Protease Metallo protease Metallo protease MAE clan Metallo protease M2 family
18540-21208 0-1300 - 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
- - - - 19-167
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Severe Acute Respiratory Syndrome 3 D045169 ClinicalTrials
Pneumonia 2 D011014 ClinicalTrials
Heart Diseases 2 D006331 ClinicalTrials
Primary Myelofibrosis 1 D055728 ClinicalTrials
Diabetes Mellitus, Type 2 1 D003924 ClinicalTrials
Glioblastoma 1 D005909 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Hypertension, Pulmonary 1 D006976 ClinicalTrials

Related Entries

Mixture

Side Effects from Label

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Skin and subcutaneous tissue disorders
11.04
Respiratory, thoracic and mediastinal disorders
10.84
General disorders and administration site conditions
9.71
Immune system disorders
9.15
Nervous system disorders
7.91
Gastrointestinal disorders
6.69
Injury, poisoning and procedural complications
6.45
Psychiatric disorders
5.68
Vascular disorders
4.94
Cardiac disorders
4.69
Metabolism and nutrition disorders
4.42
Investigations
3.52
Renal and urinary disorders
3.43
Infections and infestations
3.34

Cross References

Resources Reference
CAS NUMBER 62571-86-2
ChEBI 3380
ChEMBL CHEMBL1560
DrugBank DB01197
DrugCentral 484
EPA CompTox DTXSID1037197
FDA SRS 9G64RSX1XD
Human Metabolome Database HMDB0015328
Guide to Pharmacology 5158
KEGG D00251
PDB X8Z
PharmGKB PA448780
PubChem 44093
SureChEMBL SCHEMBL4
ZINC ZINC000000057001
CONTENTS