Compound Detail
CHEMBL179548
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Basic Information
| ChEMBL ID | CHEMBL179548 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XOIQTGKKNJREKY-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
293.3
MW (Da)
1.77
ALogP
4
HBA
2
HBD
89.6
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin A CHEMBL2094128 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.34 | 6.34 | 460.0 | 1 |
| A2780 CHEMBL614004 | IC50 | 5.09 | 5.09 | 8050.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin A | IC50 | = | 140.0 | nM | 6.85 | Inhibition of Cyclin A-cyclin-dependent kinase 2 | 15713378 |
| Unchecked | IC50 | = | 460.0 | nM | 6.34 | Inhibition of Glycogen synthase kinase-3 beta | 15713378 |
| A2780 | IC50 | = | 8050.0 | nM | 5.09 | Inhibition of A2780 ovarian tumor cell proliferation | 15713378 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15713378 | 10.1016/j.bmcl.2005.01.023 | Cyclin-dependent kinase 2/cyclin A | 1 |
| 15713378 | 10.1016/j.bmcl.2005.01.023 | Unchecked | 1 |
| 15713378 | 10.1016/j.bmcl.2005.01.023 | A2780 | 1 |
Data from ChEMBL 36 via Core Engine