Compound Detail
CHEMBL1639
ALISKIREN 💊 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
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC
Basic Information
| ChEMBL ID | CHEMBL1639 |
| Name | ALISKIREN |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | UXOWGYHJODZGMF-QORCZRPOSA-N |
| Therapeutic | ✓ Yes |
6
Targets
31
Activities
2
Assay Types
30
PK Parameters
20
Publications
6
Known Names
18
Indications
Molecular Properties
551.8
MW (Da)
3.29
ALogP
7
HBA
4
HBD
146.1
PSA (Ų)
0.19
QED
1
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2007 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Indications
Cardiovascular Diseases Atrial Fibrillation Coronary Artery Disease Diabetes Mellitus Essential Hypertension Glomerulonephritis, IGA Heart Failure Heart Failure Hypertension Hypertrophy, Left Ventricular Marfan Syndrome Myocardial Infarction Acute Coronary Syndrome Atherosclerosis Diabetic Nephropathies Kidney Diseases Diabetes Mellitus, Type 2 Renal Insufficiency, Chronic
ATC Classification
C09XA02
aliskiren
Level 1: CARDIOVASCULAR SYSTEM
Level 2: AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
Activity Summary
IC50 30 meas. best 9.4
Ki 1 meas. best 7.12
Target Activity Profile
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 21.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 154.0 | ng.hr.mL-1 | Macaca fascicularis |
| AUC | 266.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 530.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 1480.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 3240.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 356.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 627.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 1620.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 3520.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 23806.0 | ng.hr.mL-1 | Callithrix jacchus |
| AUC | 868.0 | ng.hr.mL-1 | Callithrix jacchus |
| AUC | 501.0 | ng.hr.mL-1 | Macaca fascicularis |
| AUC | 25.9 | ng.hr.mL-1 | Macaca fascicularis |
| CL | 55.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 2.5 | mL.min-1.kg-1 | Macaca fascicularis |
| CL | 3.367 | mL.min-1.kg-1 | Macaca fascicularis |
| CL/F | 294.0 | L.h-1 | Homo sapiens |
| CL/F | 321.0 | L.h-1 | Homo sapiens |
| CL/F | 254.0 | L.h-1 | Homo sapiens |
| CL/F | 222.0 | L.h-1 | Homo sapiens |
| Cmax | 7.249 | nM | Rattus norvegicus |
| Cmax | 53.46 | nM | Macaca fascicularis |
| Cmax | 47.12 | nM | Homo sapiens |
| Cmax | 130.49 | nM | Homo sapiens |
| Cmax | 366.09 | nM | Homo sapiens |
| Cmax | 761.19 | nM | Homo sapiens |
| Cmax | 6.343 | nM | Macaca fascicularis |
| Compound recovery | 0.4 | % | Homo sapiens |
| Compound recovery | 77.5 | % | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine