Compound Detail
CHEMBL570015
GSK-256066 🧪 Phase II
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🧪 Phase II
COc1cccc(Nc2c(C(N)=O)cnc3c(C)cc(S(=O)(=O)c4cccc(C(=O)N(C)C)c4)cc23)c1
Basic Information
| ChEMBL ID | CHEMBL570015 |
| Name | GSK-256066 |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | JFHROPTYMMSOLG-UHFFFAOYSA-N |
4
Targets
8
Activities
1
Assay Types
13
PK Parameters
20
Publications
2
Known Names
3
Indications
1
Mechanisms
Molecular Properties
518.6
MW (Da)
3.93
ALogP
7
HBA
2
HBD
131.7
PSA (Ų)
0.38
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Phosphodiesterase 4 inhibitor | INHIBITOR | Phosphodiesterase 4 | ✓ | ✓ |
Indications
Asthma Pulmonary Disease, Chronic Obstructive Rhinitis, Allergic, Seasonal
Activity Summary
IC50 8 meas. best 11.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PBMC CHEMBL613107 | IC50 | 11.0 | 11.0 | 0.0 | 1 |
| Whole blood CHEMBL2367373 | IC50 | 9.6 | 9.6 | 0.3 | 1 |
| Whole blood CHEMBL2367389 | IC50 | 9.5 | 9.5 | 0.3 | 1 |
| Blood CHEMBL613416 | IC50 | 7.4 | 7.4 | 39.8 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 10.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 150.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 32.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 20.05 | uL.min-1.(10^6cells)-1 | Homo sapiens |
| CL | 130.0 | uL.min-1.(10^6cells)-1 | Rattus norvegicus |
| CL | 150.0 | mL.min-1.g-1 | Homo sapiens |
| F | 10.0 | % | Rattus norvegicus |
| Fu | 0.015 | - | Homo sapiens |
| Fu | 0.024 | - | Rattus norvegicus |
| T1/2 | 1.1 | hr | Rattus norvegicus |
| T1/2 | 14.9 | hr | Rattus norvegicus |
| T1/2 | 8.1 | hr | Rattus norvegicus |
| Vd | 0.3 | L.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PBMC | IC50 | = | 0.01 | nM | 11.0 | Antiinflammatory activity in human PBMC assessed as inhibition of LPS-induced TN... | 19656678 |
| Whole blood | IC50 | = | 0.2512 | nM | 9.6 | Antiinflammatory activity in rat whole blood assessed as inhibition of LPS-induc... | 24785301 |
| Whole blood | IC50 | = | 0.3162 | nM | 9.5 | Antiinflammatory activity in human whole blood assessed as inhibition of LPS-ind... | 24785301 |
| Blood | IC50 | = | 39.81 | nM | 7.4 | Antiinflammatory activity in human whole blood assessed as inhibition of LPS-ind... | 19656678 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24785301 | 10.1021/jm5001216 | Rattus norvegicus | 8 |
| 19656678 | 10.1016/j.bmcl.2009.04.012 | Unchecked | 6 |
| 19656678 | 10.1016/j.bmcl.2009.04.012 | Rattus norvegicus | 6 |
| - | 10.6019/CHEMBL3301361 | ADMET | 5 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| 32255344 | 10.1021/acs.jmedchem.9b02170 | Homo sapiens | 4 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 2 |
| 19656678 | 10.1016/j.bmcl.2009.04.012 | Blood | 2 |
| 19656678 | 10.1016/j.bmcl.2009.04.012 | Lung | 2 |
| 19656678 | 10.1016/j.bmcl.2009.04.012 | ADMET | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 2 |
| 24785301 | 10.1021/jm5001216 | Whole blood | 2 |
| 24785301 | 10.1021/jm5001216 | Plasma | 2 |
| 24785301 | 10.1021/jm5001216 | No relevant target | 2 |
| 24785301 | 10.1021/jm5001216 | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
| 24785301 | 10.1021/jm5001216 | Hepatocyte | 1 |
| 24785301 | 10.1021/jm5001216 | Liver microsome | 1 |
| 19656678 | 10.1016/j.bmcl.2009.04.012 | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
| 19656678 | 10.1016/j.bmcl.2009.04.012 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine