Compound Detail
CHEMBL1560
CAPTOPRIL 💊 Approved Drug
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL1560 |
| Name | CAPTOPRIL |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | FAKRSMQSSFJEIM-RQJHMYQMSA-N |
| Therapeutic | ✓ Yes |
24
Targets
162
Activities
4
Assay Types
17
PK Parameters
20
Publications
27
Known Names
20
Indications
1
Mechanisms
Molecular Properties
217.3
MW (Da)
0.63
ALogP
3
HBA
2
HBD
57.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1981 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Angiotensin-converting enzyme inhibitor | INHIBITOR | Angiotensin-converting enzyme | ✓ | ✓ |
Indications
Cardiovascular Diseases Collagen Diseases Diabetic Nephropathies Diabetic Retinopathy Heart Failure Heart Failure Hypertension Myocardial Infarction Renal Insufficiency Ventricular Dysfunction, Left Diabetes Mellitus, Type 1 Essential Hypertension Severe Acute Respiratory Syndrome Heart Diseases Pneumonia Diabetes Mellitus, Type 2 Glioblastoma Hypertension, Pulmonary Neoplasms Primary Myelofibrosis
ATC Classification
C09AA01
captopril
Level 1: CARDIOVASCULAR SYSTEM
Level 2: AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
Drug Warnings
Black Box Warning
teratogenicity
Activity Summary
IC50 124 meas. best 9.92
Ki 22 meas. best 8.77
EC50 8 meas. best 5.03
Kd 8 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL1808 | IC50 | 9.92 | 7.7064 | 0.1 | 33 |
| Angiotensin-converting enzyme CHEMBL4074 | Ki | 8.77 | 8.77 | 1.7 | 1 |
| Renin CHEMBL286 | Ki | 8.77 | 8.77 | 1.7 | 1 |
| Angiotensin-converting enzyme CHEMBL1808 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| Angiotensin-converting enzyme CHEMBL2625 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| Angiotensin-converting enzyme CHEMBL4074 | IC50 | 8.64 | 7.671 | 2.3 | 20 |
| Angiotensin-converting enzyme CHEMBL2625 | IC50 | 8.52 | 7.619 | 3.0 | 10 |
| Unchecked CHEMBL612545 | IC50 | 8.11 | 4.9804 | 7.7 | 24 |
| Angiotensin-converting enzyme CHEMBL2096989 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| Prothrombin CHEMBL204 | Ki | 7.32 | 7.32 | 48.0 | 1 |
| Leukotriene A-4 hydrolase CHEMBL4618 | IC50 | 7.16 | 5.6125 | 70.0 | 4 |
| Unchecked CHEMBL612545 | Ki | 7.15 | 5.6467 | 71.5 | 9 |
| Beta-lactamase VIM-2 CHEMBL5798 | Kd | 6.22 | 6.22 | 600.0 | 1 |
| Succinyl-diaminopimelate desuccinylase CHEMBL1075192 | Ki | 5.74 | 5.74 | 1820.0 | 1 |
| Beta-lactamase CHEMBL1293244 | Ki | 5.62 | 5.62 | 2400.0 | 1 |
| Succinyl-diaminopimelate desuccinylase CHEMBL1075192 | IC50 | 5.48 | 5.48 | 3300.0 | 1 |
| Beta-lactamase VIM-2 CHEMBL5798 | IC50 | 5.46 | 5.46 | 3500.0 | 1 |
| Leukotriene A-4 hydrolase CHEMBL4618 | Ki | 5.43 | 5.43 | 3700.0 | 1 |
| No relevant target CHEMBL2362975 | IC50 | 5.36 | 4.995 | 4400.0 | 2 |
| Beta-lactamase CHEMBL1293244 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Leukotriene A-4 hydrolase CHEMBL4618 | Kd | 5.2 | 5.1567 | 6250.0 | 3 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.19 | 5.17 | 6500.0 | 2 |
| Beta-lactamase NDM-1 CHEMBL4295540 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
| Leishmania donovani CHEMBL367 | EC50 | 5.03 | 5.03 | 9410.0 | 1 |
| Prostaglandin G/H synthase 2 CHEMBL230 | Ki | 4.92 | 4.92 | 12000.0 | 1 |
| Unchecked CHEMBL612545 | Kd | 4.92 | 4.92 | 12000.0 | 1 |
| Leishmania major CHEMBL612879 | EC50 | 4.91 | 4.91 | 12400.0 | 1 |
| Metallo-beta-lactamase type 2 CHEMBL1667695 | Kd | 4.85 | 4.85 | 14000.0 | 2 |
| Prostaglandin G/H synthase 1 CHEMBL221 | Ki | 4.77 | 4.77 | 17000.0 | 1 |
| Beta-lactamase II CHEMBL2079847 | Ki | 4.75 | 4.75 | 17900.0 | 1 |
| Angiotensin-converting enzyme CHEMBL1808 | EC50 | 4.73 | 4.7 | 18539.6 | 2 |
| Trypanosoma brucei CHEMBL612849 | EC50 | 4.64 | 4.64 | 22900.0 | 1 |
| Xaa-Pro dipeptidase CHEMBL4185 | Ki | 4.6 | 4.6 | 25000.0 | 1 |
| Beta-lactamase II CHEMBL2079847 | IC50 | 4.59 | 4.59 | 25800.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | EC50 | 4.52 | 4.52 | 30100.0 | 1 |
| Radical scavenging activity CHEMBL613712 | IC50 | 4.37 | 4.37 | 43000.0 | 1 |
| Metallo-beta-lactamase type 2 CHEMBL1667695 | IC50 | 4.3 | 4.3 | 49800.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 275.7 | - | Chlorocebus sabaeus |
| CL | 12.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 12.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | - | mL.min-1.kg-1 | Homo sapiens |
| CL | 10.0 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 12.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 12.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 13.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 19.0 | mL.min-1.kg-1 | Macaca |
| CL | 57.11 | uL.min-1.(10^6cells)-1 | Homo sapiens |
| F | 79.0 | % | Homo sapiens |
| Fu | 0.73 | - | Homo sapiens |
| Fu | 0.73 | - | Homo sapiens |
| Ka | 4.2 | 10'4/M/s | Pseudomonas aeruginosa |
| MRT | 1.0 | hr | Homo sapiens |
| T1/2 | 1.0 | hr | Homo sapiens |
| T1/2 | 2.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine