Compound Detail
CHEMBL3545108
AZD9056 🧪 Phase II
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
🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL3545108 |
| Name | AZD9056 |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | HSQAARMBHJCUOK-UHFFFAOYSA-N |
3
Targets
7
Activities
2
Assay Types
2
PK Parameters
5
Publications
3
Known Names
1
Indications
1
Mechanisms
Molecular Properties
419.0
MW (Da)
4.19
ALogP
3
HBA
3
HBD
61.4
PSA (Ų)
0.50
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| P2X purinoceptor 7 antagonist | ANTAGONIST | P2X purinoceptor 7 | ✓ | ✓ |
Indications
Arthritis, Rheumatoid
Activity Summary
IC50 5 meas. best 8.46
Ki 2 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 7 CHEMBL4805 | IC50 | 8.46 | 8.1533 | 3.5 | 3 |
| P2X purinoceptor 7 CHEMBL2496 | IC50 | 8.36 | 8.36 | 4.4 | 1 |
| P2X purinoceptor 7 CHEMBL4805 | Ki | 7.82 | 7.82 | 15.0 | 1 |
| P2X purinoceptor 7 CHEMBL2496 | Ki | 6.89 | 6.89 | 130.0 | 1 |
| P2X purinoceptor 7 CHEMBL5183 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 20.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 43.33 | mL.min-1.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 7 | IC50 | = | 3.5 | nM | 8.46 | Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as... | 33822617 |
| P2X purinoceptor 7 | IC50 | = | 4.4 | nM | 8.36 | Antagonist activity at rat P2X7 receptor expressed in HEK293 cells assessed as i... | 33822617 |
| P2X purinoceptor 7 | IC50 | = | 10.0 | nM | 8.0 | Antagonist activity at human P2X7 | 28493698 |
| P2X purinoceptor 7 | IC50 | = | 10.0 | nM | 8.0 | Antagonist activity at human P2X7 receptor in human blood assessed as ATP induce... | 36893624 |
| P2X purinoceptor 7 | Ki | = | 15.0 | nM | 7.82 | Displacement of [3H]-A-804598 from human P2X7 receptor expressed in HEK293 cell ... | 33822617 |
| P2X purinoceptor 7 | Ki | = | 130.0 | nM | 6.89 | Displacement of [3H]-A-804598 from rat P2X7 receptor expressed in HEK293 cell me... | 33822617 |
| P2X purinoceptor 7 | IC50 | = | 1700.0 | nM | 5.77 | Antagonist activity at mouse P2X7 receptor expressed in HEK293 cells assessed as... | 33822617 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33822617 | 10.1021/acs.jmedchem.0c02249 | P2X purinoceptor 7 | 5 |
| 33822617 | 10.1021/acs.jmedchem.0c02249 | ADMET | 4 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 28493698 | 10.1021/acs.jmedchem.7b00408 | P2X purinoceptor 7 | 1 |
| 36893624 | 10.1016/j.ejmech.2023.115234 | P2X purinoceptor 7 | 1 |
Data from ChEMBL 36 via Core Engine