Compound Detail
CHEMBL1513
IRBESARTAN 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL1513 |
| Name | IRBESARTAN |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | YOSHYTLCDANDAN-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
17
Targets
40
Activities
3
Assay Types
28
PK Parameters
20
Publications
21
Known Names
20
Indications
1
Mechanisms
Molecular Properties
428.5
MW (Da)
4.78
ALogP
5
HBA
1
HBD
87.1
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1997 |
| Availability | Prescription |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Type-1 angiotensin II receptor antagonist | ANTAGONIST | Type-1 angiotensin II receptor | ✓ | ✓ |
Indications
Cardiovascular Diseases Diabetes Mellitus, Type 2 Diabetic Nephropathies Hypertension Kidney Failure, Chronic Kidney Failure, Chronic Acute Kidney Injury Atrial Fibrillation Ehlers-Danlos Syndrome Essential Hypertension Glomerulonephritis, IGA Glomerulosclerosis, Focal Segmental Heart Failure Hepatitis C, Chronic Hypercholesterolemia Myocardial Ischemia Renal Insufficiency, Chronic Sepsis Severe Acute Respiratory Syndrome Severe Acute Respiratory Syndrome
ATC Classification
C09CA04
irbesartan
Level 1: CARDIOVASCULAR SYSTEM
Level 2: AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
Drug Warnings
Black Box Warning
teratogenicity
Black Box Warning
cardiotoxicity
Activity Summary
IC50 27 meas. best 9.24
Ki 11 meas. best 9.39
EC50 2 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 9.39 | 8.9767 | 0.4 | 3 |
| Unchecked CHEMBL612545 | IC50 | 9.24 | 8.776 | 0.6 | 5 |
| Type-1 angiotensin II receptor B CHEMBL263 | Ki | 9.1 | 9.1 | 0.8 | 1 |
| Type-1 angiotensin II receptor CHEMBL227 | Ki | 9.1 | 8.912 | 0.8 | 5 |
| Type-1 angiotensin II receptor A CHEMBL329 | IC50 | 9.05 | 9.05 | 0.9 | 1 |
| Angiotensin II receptor CHEMBL2094112 | IC50 | 8.89 | 8.89 | 1.3 | 1 |
| Type-1 angiotensin II receptor B CHEMBL263 | IC50 | 8.89 | 8.89 | 1.3 | 2 |
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | IC50 | 8.89 | 8.89 | 1.3 | 2 |
| Type-1 angiotensin II receptor CHEMBL227 | IC50 | 8.52 | 8.14 | 3.0 | 3 |
| Angiotensin II receptor CHEMBL2094256 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Oryctolagus cuniculus CHEMBL374 | IC50 | 8.4 | 8.4 | 4.0 | 3 |
| HASMC CHEMBL614150 | IC50 | 6.5 | 6.5 | 320.0 | 1 |
| Leukotriene B4 receptor 2 CHEMBL3191 | EC50 | 6.39 | 6.39 | 410.0 | 1 |
| Hepatitis B virus CHEMBL613497 | IC50 | 5.48 | 5.48 | 3300.0 | 1 |
| Bile salt export pump CHEMBL6020 | IC50 | 5.14 | 5.14 | 7300.0 | 3 |
| Hepatitis delta virus CHEMBL4888466 | EC50 | 5.03 | 5.03 | 9400.0 | 1 |
| Endothelin-1 receptor CHEMBL252 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
| Hepatic sodium/bile acid cotransporter CHEMBL5287 | Ki | 4.92 | 4.92 | 11900.0 | 1 |
| ATP-binding cassette sub-family C member 3 CHEMBL5918 | IC50 | 4.68 | 4.68 | 21100.0 | 1 |
| Hepatic sodium/bile acid cotransporter CHEMBL5287 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
| ATP-binding cassette sub-family C member 4 CHEMBL1743128 | IC50 | 4.08 | 4.08 | 83200.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 22656.91 | ng.hr.mL-1 | Homo sapiens |
| CL | 3.85 | mL.min-1.kg-1 | Homo sapiens |
| CL | 2.3 | mL.min-1.kg-1 | Homo sapiens |
| CL | 9.01 | uL.min-1.(10^6cells)-1 | Rattus norvegicus |
| CL | 10.47 | uL.min-1.(10^6cells)-1 | Homo sapiens |
| CL | 17.78 | mL.min-1.g-1 | Homo sapiens |
| CL | 2.12 | mL.min-1.kg-1 | Homo sapiens |
| CL | 39.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 12.1 | mL.min-1.kg-1 | Macaca fascicularis |
| CL | 2.1 | mL.min-1.kg-1 | Homo sapiens |
| Cmax | 3033.56 | nM | Homo sapiens |
| Cmax | 3505.0 | nM | Homo sapiens |
| Excretion | 2.2 | % | Homo sapiens |
| F | 90.0 | % | Homo sapiens |
| F | 70.0 | % | Homo sapiens |
| F | 70.0 | % | Homo sapiens |
| F | 60.0 | % | Homo sapiens |
| Fu | 0.1 | - | Homo sapiens |
| Fu | 0.000126 | - | Macaca fascicularis |
| Fu | 0.000155 | - | Homo sapiens |
| MRT | 6.8 | hr | Homo sapiens |
| T1/2 | 10.0 | hr | - |
| T1/2 | 21.0 | hr | Homo sapiens |
| T1/2 | 14.0 | hr | Homo sapiens |
| T1/2 | 13.0 | hr | Homo sapiens |
| Tmax | 1.2 | hr | Homo sapiens |
| Vd | 0.9 | L.kg-1 | Homo sapiens |
| Vd | 2.9 | L.kg-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5724801 | Fibroblast | 304 |
| - | 10.6019/CHEMBL5058577 | HEK-293T | 304 |
| - | 10.6019/CHEMBL5058577 | Fibroblast | 304 |
| - | 10.6019/CHEMBL5724801 | U2OS | 304 |
| - | 10.6019/CHEMBL5058577 | U2OS | 304 |
| - | 10.6019/CHEMBL5724801 | HEK-293T | 304 |
| - | 10.6019/CHEMBL3885881 | Rattus norvegicus | 192 |
| - | 10.5281/zenodo.13943903 | ADMET | 89 |
| 31158845 | 10.1038/s41586-019-1291-3 | ADMET | 71 |
| 22194678 | 10.1371/journal.pcbi.1002310 | Hepatotoxicity | 14 |
| 28666735 | 10.1016/j.bmcl.2017.06.051 | Type-1 angiotensin II receptor | 12 |
| 15646539 | 10.1016/s0399-8320(04)95062-2 | Unchecked | 11 |
| - | 10.6019/CHEMBL5058564 | U2OS | 8 |
| 22410249 | 10.1016/j.bmc.2012.02.003 | Rattus norvegicus | 8 |
| - | 10.6019/CHEMBL5058564 | Fibroblast | 8 |
| 32985885 | 10.1021/acs.jmedchem.0c01033 | ADMET | 8 |
| 15646539 | 10.1016/s0399-8320(04)95062-2 | NON-PROTEIN TARGET | 8 |
| - | 10.1016/S0960-894X(01)81139-2 | Rattus norvegicus | 7 |
| - | 10.1016/S0960-894X(01)81139-2 | Monkey | 6 |
| - | 10.6019/CHEMBL5209801 | CX3C chemokine receptor 1 | 5 |
Data from ChEMBL 36 via Core Engine