Compound Detail
CHEMBL480350
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Basic Information
| ChEMBL ID | CHEMBL480350 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZITKTAJHKVYGTC-UTCJRWHESA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
403.0
MW (Da)
0.83
ALogP
4
HBA
4
HBD
112.4
PSA (Ų)
0.48
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.29 | 7.29 | 51.0 | 1 |
| Cyclin-dependent kinase 5/CDK5 activator 1 CHEMBL1907600 | IC50 | 7.25 | 7.25 | 56.0 | 1 |
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | IC50 | 7.0 | 7.0 | 100.0 | 2 |
| Cyclin-dependent kinase 1/cyclin B CHEMBL2094127 | IC50 | 6.28 | 6.28 | 530.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 51.0 | nM | 7.29 | Inhibition of rabbit muscle GSK3beta in presence of gamma32P-ATP | 33901899 |
| Cyclin-dependent kinase 5/CDK5 activator 1 | IC50 | = | 56.0 | nM | 7.25 | Inhibition of CDK5/p25 (unknown origin) | 33901899 |
| Serine/threonine-protein kinase Chk1 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of CHK1 | 19111462 |
| Serine/threonine-protein kinase Chk1 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of Chk1 (unknown origin) | 33901899 |
| Cyclin-dependent kinase 1/cyclin B | IC50 | = | 530.0 | nM | 6.28 | Inhibition of CDK1/Cyclin B (unknown origin) in presence of gamma32P-ATP by scin... | 33901899 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19111462 | 10.1016/j.bmcl.2008.12.001 | Serine/threonine-protein kinase Chk1 | 1 |
| 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 |
| 33901899 | 10.1016/j.ejmech.2021.113445 | Serine/threonine-protein kinase Chk1 | 1 |
Data from ChEMBL 36 via Core Engine