Compound Detail
CHEMBL1233473
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Basic Information
| ChEMBL ID | CHEMBL1233473 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WMIYIBXBFBOKCT-UTCJRWHESA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
314.1
MW (Da)
0.61
ALogP
4
HBA
4
HBD
112.4
PSA (Ų)
0.53
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.33 | 7.33 | 47.0 | 1 |
| Cyclin-dependent kinase 5/CDK5 activator 1 CHEMBL1907600 | IC50 | 7.21 | 7.21 | 62.0 | 1 |
| Cyclin-dependent kinase 1/cyclin B CHEMBL2094127 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 47.0 | nM | 7.33 | Inhibition of rabbit muscle GSK3beta in presence of gamma32P-ATP | 33901899 |
| Cyclin-dependent kinase 5/CDK5 activator 1 | IC50 | = | 62.0 | nM | 7.21 | Inhibition of CDK5/p25 (unknown origin) | 33901899 |
| Cyclin-dependent kinase 1/cyclin B | IC50 | = | 220.0 | nM | 6.66 | Inhibition of CDK1/Cyclin B (unknown origin) in presence of gamma32P-ATP by scin... | 33901899 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33901899 | 10.1016/j.ejmech.2021.113445 | Cyclin-dependent kinase 1/cyclin B | 1 |
| 33901899 | 10.1016/j.ejmech.2021.113445 | Unchecked | 1 |
| 33901899 | 10.1016/j.ejmech.2021.113445 | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
Data from ChEMBL 36 via Core Engine