Compound Detail
CHEMBL45757
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Basic Information
| ChEMBL ID | CHEMBL45757 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RWUQSPFTCQLAQX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
394.6
MW (Da)
4.05
ALogP
7
HBA
2
HBD
80.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A2780 CHEMBL614004 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| Cyclin-dependent kinase 2/cyclin E CHEMBL2094126 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A2780 | IC50 | = | 110.0 | nM | 6.96 | Antiproliferative effect against human A2780 cell line was determined in a whole... | 15027863 |
| Cyclin-dependent kinase 2/cyclin E | IC50 | = | 11000.0 | nM | 4.96 | In vitro inhibitory concentration required for displacement of [ATP] at 25 uM fr... | 15027863 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15027863 | 10.1021/jm0305568 | Cyclin-dependent kinase 2/cyclin E | 1 |
| 15027863 | 10.1021/jm0305568 | A2780 | 1 |
| 15027863 | 10.1021/jm0305568 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine