Compound Detail
CHEMBL425720
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Basic Information
| ChEMBL ID | CHEMBL425720 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FVCARQMVVSNDMM-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
411.4
MW (Da)
2.08
ALogP
7
HBA
2
HBD
120.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 1/cyclin B CHEMBL2094127 | IC50 | 8.49 | 8.49 | 3.2 | 1 |
| HeLa CHEMBL399 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
| SK-OV-3 CHEMBL614925 | 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 1/cyclin B | IC50 | = | 3.2 | nM | 8.49 | Inhibition of Cyclin B-cyclin-dependent kinase 1 | 15974571 |
| HeLa | IC50 | = | 220.0 | nM | 6.66 | In vitro inhibitory concentration against cell proliferation in human HeLa (cerv... | 15974571 |
| SK-OV-3 | IC50 | = | 1600.0 | nM | 5.8 | In vitro inhibitory concentration against cell proliferation in human SK-OV-3 (o... | 15974571 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15974571 | 10.1021/jm050267e | Cyclin-dependent kinase 1/cyclin B | 1 |
| 15974571 | 10.1021/jm050267e | HeLa | 1 |
| 15974571 | 10.1021/jm050267e | SK-OV-3 | 1 |
Data from ChEMBL 36 via Core Engine