Compound Detail
CHEMBL1467
ALLOPURINOL 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL1467 |
| Name | ALLOPURINOL |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | OFCNXPDARWKPPY-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
12
Targets
134
Activities
4
Assay Types
14
PK Parameters
20
Publications
25
Known Names
20
Indications
1
Mechanisms
Molecular Properties
136.1
MW (Da)
0.06
ALogP
4
HBA
2
HBD
74.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1966 |
| Availability | Prescription |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Xanthine dehydrogenase inhibitor | INHIBITOR | Xanthine dehydrogenase/oxidase | ✓ | ✓ |
Indications
Gout Leukemia Lymphoma Neoplasms Response Evaluation Criteria in Solid Tumors Bipolar Disorder Brain Diseases Cardiovascular Diseases Colitis, Ulcerative Diabetes Mellitus, Type 2 Heart Diseases Hernias, Diaphragmatic, Congenital Hypertension Hyperuricemia Lymphoma, Non-Hodgkin Obesity Precursor Cell Lymphoblastic Leukemia-Lymphoma Sprains and Strains Tumor Lysis Syndrome Wounds and Injuries
ATC Classification
M04AA01
allopurinol
Level 1: MUSCULO-SKELETAL SYSTEM
Level 2: ANTIGOUT PREPARATIONS
M04AA51
allopurinol, combinations
Level 1: MUSCULO-SKELETAL SYSTEM
Level 2: ANTIGOUT PREPARATIONS
Drug Warnings
Black Box Warning
General Warning
Activity Summary
IC50 122 meas. best 8.46
Ki 8 meas. best 7.0
Kd 3 meas. best 9.27
EC50 1 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Xanthine dehydrogenase/oxidase CHEMBL3649 | Kd | 9.27 | 9.27 | 0.5 | 1 |
| Xanthine dehydrogenase/oxidase CHEMBL1929 | IC50 | 8.46 | 5.5838 | 3.5 | 56 |
| Xanthine dehydrogenase/oxidase CHEMBL1929 | Ki | 7.0 | 5.905 | 100.0 | 6 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.64 | 6.08 | 230.0 | 2 |
| Xanthine dehydrogenase/oxidase CHEMBL3649 | IC50 | 6.6 | 5.3398 | 250.0 | 45 |
| Xanthine dehydrogenase/oxidase CHEMBL5465298 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.14 | 5.2957 | 730.0 | 7 |
| Xanthine dehydrogenase/oxidase CHEMBL1075246 | IC50 | 6.12 | 5.3367 | 753.0 | 3 |
| Xanthine dehydrogenase/oxidase CHEMBL3649 | Ki | 6.0 | 5.79 | 1000.0 | 2 |
| Leishmania infantum CHEMBL612848 | EC50 | 5.46 | 5.46 | 3500.0 | 1 |
| Leishmania infantum CHEMBL612848 | IC50 | 5.46 | 5.46 | 3510.0 | 1 |
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 5.42 | 5.42 | 3770.0 | 1 |
| No relevant target CHEMBL2362975 | IC50 | 5.41 | 5.255 | 3900.0 | 2 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.02 | 5.015 | 9620.0 | 2 |
| Shiga toxin subunit A CHEMBL3879822 | IC50 | 4.62 | 4.62 | 23900.0 | 1 |
| Adenosine receptor A2a CHEMBL251 | Kd | 4.11 | 4.11 | 77000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 11.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 9.3 | mL.min-1.kg-1 | Homo sapiens |
| CL | 11.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 11.0 | mL.min-1.kg-1 | Homo sapiens |
| F | 80.0 | % | Homo sapiens |
| Fu | 0.95 | - | - |
| Fu | 0.881 | - | - |
| Fu | 0.95 | - | Homo sapiens |
| Fu | 0.97 | - | Homo sapiens |
| Fu | 0.97 | - | Homo sapiens |
| MRT | 0.88 | hr | Homo sapiens |
| T1/2 | 0.8 | hr | Homo sapiens |
| T1/2 | 0.7 | hr | Homo sapiens |
| Tmax | 1.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine