Compound Detail
CHEMBL525194
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Basic Information
| ChEMBL ID | CHEMBL525194 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CAGHIASAHLPQMS-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
252.3
MW (Da)
1.76
ALogP
6
HBA
1
HBD
68.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.1
EC50 1 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 6.4 | 6.4 | 398.1 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 | IC50 | = | 80.0 | nM | 7.1 | Inhibition of CDK4 by radioactive glutathione plate-binding assay | 18835709 |
| Cyclin-dependent kinase 2 | IC50 | = | 120.0 | nM | 6.92 | Inhibition of human CDK2 by HTRF assay | 18835709 |
| Trypanosoma brucei brucei | EC50 | = | 398.11 | nM | 6.4 | Antitrypanosomal activity against Trypanosoma brucei brucei Lister 427 blood str... | 31846577 |
| Glycogen synthase kinase-3 beta | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of GSK3-beta by scintillation proximity assay | 18835709 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18835709 | 10.1016/j.bmcl.2008.09.069 | Cyclin-dependent kinase 4 | 1 |
| 18835709 | 10.1016/j.bmcl.2008.09.069 | Vascular endothelial growth factor receptor 2 | 1 |
| 18835709 | 10.1016/j.bmcl.2008.09.069 | Glycogen synthase kinase-3 beta | 1 |
| 18835709 | 10.1016/j.bmcl.2008.09.069 | Cyclin-dependent kinase 2 | 1 |
| 18835709 | 10.1016/j.bmcl.2008.09.069 | ADMET | 1 |
| 31846577 | 10.1021/acs.jmedchem.9b01741 | Trypanosoma brucei brucei | 1 |
Data from ChEMBL 36 via Core Engine