Compound Detail
CHEMBL202935
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Basic Information
| ChEMBL ID | CHEMBL202935 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IRJVSHBVCRPYII-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
302.3
MW (Da)
3.06
ALogP
3
HBA
3
HBD
82.2
PSA (Ų)
0.44
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 5/CDK5 activator 1 CHEMBL1907600 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
| Glycogen synthase kinase-3 CHEMBL2095188 | IC50 | 6.34 | 6.34 | 460.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.24 | 6.24 | 580.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 5/CDK5 activator 1 | IC50 | = | 250.0 | nM | 6.6 | Inhibitory activity against CDK5/p25 | 16420063 |
| Glycogen synthase kinase-3 | IC50 | = | 460.0 | nM | 6.34 | Inhibitory activity against GSK3 from porcine brain | 16420063 |
| Unchecked | IC50 | = | 580.0 | nM | 6.24 | Inhibitory activity against CDK1/Cyclin B from starfish oocytes | 16420063 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16420063 | 10.1021/jm050945x | Unchecked | 2 |
| 16420063 | 10.1021/jm050945x | CCRF-CEM | 1 |
| 16420063 | 10.1021/jm050945x | CEM/C2 | 1 |
| 16420063 | 10.1021/jm050945x | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
| 16420063 | 10.1021/jm050945x | Glycogen synthase kinase-3 | 1 |
Data from ChEMBL 36 via Core Engine