Compound Detail
CHEMBL186054
PYRAZOLOPYRIDAZINE 2 Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL186054 |
| Name | PYRAZOLOPYRIDAZINE 2 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AGAYQQLAAVQQLA-UHFFFAOYSA-N |
5
Targets
6
Activities
3
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
2.95
ALogP
8
HBA
1
HBD
86.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.0
EC50 1 meas. best 5.82
IC50 1 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | Ki | 8.0 | 7.96 | 10.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | Ki | 7.3 | 7.3 | 50.0 | 1 |
| Cyclin-dependent kinase 4 CHEMBL331 | Ki | 6.72 | 6.72 | 190.0 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL3669 | EC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | Ki | = | 10.0 | nM | 8.0 | Binding affinity for human glycogen synthase kinase 3 beta | 15341487 |
| Unchecked | IC50 | = | 12.0 | nM | 7.92 | Inhibition of GSK3 | 17399989 |
| Glycogen synthase kinase-3 beta | Ki | = | 12.02 | nM | 7.92 | Inhibition of GSK3beta (unknown origin) expressed in Sf9 cells using GS1 as subs... | - |
| Cyclin-dependent kinase 2 | Ki | = | 50.0 | nM | 7.3 | Binding affinity for human cyclin-dependent kinase 2 | 15341487 |
| Cyclin-dependent kinase 4 | Ki | = | 190.0 | nM | 6.72 | Binding affinity for human cyclin-dependent kinase 4 | 15341487 |
| Glycogen synthase kinase-3 beta | EC50 | = | 1500.0 | nM | 5.82 | Effective concentration to increase glycogen deposition in rat skeletal muscle L... | 15341487 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15341487 | 10.1021/jm040063i | Glycogen synthase kinase-3 beta | 3 |
| 15341487 | 10.1021/jm040063i | Cyclin-dependent kinase 2 | 1 |
| 15341487 | 10.1021/jm040063i | Cyclin-dependent kinase 4 | 1 |
| 17399989 | 10.1016/j.bmc.2007.03.048 | Unchecked | 1 |
| - | 10.1007/s00044-007-9086-8 | Glycogen synthase kinase-3 beta | 1 |
Data from ChEMBL 36 via Core Engine