Compound Detail
CHEMBL560453
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Basic Information
| ChEMBL ID | CHEMBL560453 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SLOHIGYPBAVNRD-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
398.5
MW (Da)
3.34
ALogP
6
HBA
2
HBD
95.3
PSA (Ų)
0.43
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.64 | 6.64 | 230.0 | 1 |
| Glycogen synthase kinase-3 CHEMBL2366565 | IC50 | 6.47 | 6.47 | 340.0 | 1 |
| Cyclin-dependent kinase 5/CDK5 activator 1 CHEMBL1907600 | IC50 | 6.18 | 6.18 | 660.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 230.0 | nM | 6.64 | Inhibition of Marthasterias glacialis CDK1/cyclin B after 30 mins by scintillati... | 19596197 |
| Glycogen synthase kinase-3 | IC50 | = | 340.0 | nM | 6.47 | Inhibition of pig brain GSK3alpha/beta after 30 mins by scintillation counting | 19596197 |
| Cyclin-dependent kinase 5/CDK5 activator 1 | IC50 | = | 660.0 | nM | 6.18 | Inhibition of GST-fused recombinant CDK5/p25 expressed in Escherichia coli after... | 19596197 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19596197 | 10.1016/j.bmc.2009.06.024 | Unchecked | 1 |
| 19596197 | 10.1016/j.bmc.2009.06.024 | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
| 19596197 | 10.1016/j.bmc.2009.06.024 | Glycogen synthase kinase-3 | 1 |
Data from ChEMBL 36 via Core Engine