Details of the Drug

General Information of Drug (ID: DMMZDJ6)

Drug Name

Captopril

Synonyms

captopril; 62571-86-2; Capoten; L-Captopril; Lopirin; Captopryl; Cesplon; Captolane; Tensoprel; Dilabar; Acepress; Captoril; Tenosbon; Hypertil; Garranil; Alopresin; Lopril; Acepril; Captoprilum; Aceplus; Acediur; Tensobon; Isopresol;Apopril; Asisten; Captoprilum [INN-Latin]; SQ 14225; SQ-14225; SQ 14,225; SA 333; Captopril

Indication

Disease Entry	ICD 11	Status	REF
Hypertension	BA00-BA04	Approved	[1]
Coronavirus Disease 2019 (COVID-19)	1D6Y	Phase 3	[2]

Therapeutic Class

Antiviral Agents

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

217.29

Topological Polar Surface Area (xlogp)

0.3

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

ADMET Property

Half-life: The concentration or amount of drug in body reduced by one-half in 2 hours [3]
Metabolism: The drug is metabolized via the hepatic [4]

Chemical Identifiers

Formula: C9H15NO3S
IUPAC Name: (2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid
Canonical 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
InChIKey: FAKRSMQSSFJEIM-RQJHMYQMSA-N

Cross-matching ID

PubChem CID: 44093
ChEBI ID: CHEBI:3380
CAS Number: 62571-86-2
DrugBank ID: DB01197
TTD ID: D06VSD
ACDINA ID: D00096

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
HUMAN angiotensin-converting enzyme (ACE)	TTGFNPD	ACE_HUMAN	Inhibitor	[5]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	FDA Approved Drug Products from FDA Official Website. 2019. Application Number: (ANDA) 074532.
2	ClinicalTrials.gov (NCT04345406) Angiotensin Converting Enzyme Inhibitors in Treatment of Covid 19. U.S. National Institutes of Health.
3	Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
4	FDA approval: ado-trastuzumab emtansine for the treatment of patients with HER2-positive metastatic breast cancer. Clin Cancer Res. 2014 Sep 1;20(17):4436-41.
5	Outcomes in Patients with COVID-19 Infection Taking ACEI/ARB. Curr Cardiol Rep. 2020 Apr 14;22(5):31.
6	Coronavirus Disease 2019 (COVID-19) and Cardiovascular Disease: A Viewpoint on the Potential Influence of Angiotensin-Converting Enzyme Inhibitors/Angiotensin Receptor Blockers on Onset and Severity of Severe Acute Respiratory Syndrome Coronavirus 2 Infection. J Am Heart Assoc. 2020 Apr 7;9(7):e016219.