Compound Detail
CHEMBL360986
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Basic Information
| ChEMBL ID | CHEMBL360986 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DQKJGZAOXUAOIO-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
277.3
MW (Da)
2.00
ALogP
4
HBA
2
HBD
89.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin A CHEMBL2094128 | IC50 | 7.85 | 7.35 | 14.0 | 2 |
| A2780 CHEMBL614004 | IC50 | 5.53 | 5.47 | 2980.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin A | IC50 | = | 14.0 | nM | 7.85 | Inhibition of Cyclin A-cyclin-dependent kinase 2 | 15713378 |
| Cyclin-dependent kinase 2/cyclin A | IC50 | = | 140.0 | nM | 6.85 | Inhibition of Cyclin A-cyclin-dependent kinase 2 | 15713378 |
| A2780 | IC50 | = | 2980.0 | nM | 5.53 | Inhibition of A2780 ovarian tumor cell proliferation | 15713378 |
| A2780 | IC50 | = | 3860.0 | nM | 5.41 | 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 | 2 |
| 15713378 | 10.1016/j.bmcl.2005.01.023 | A2780 | 2 |
Data from ChEMBL 36 via Core Engine