Compound Detail
CHEMBL112433
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Basic Information
| ChEMBL ID | CHEMBL112433 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HHYDLEDJMDNGIO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
360.4
MW (Da)
3.23
ALogP
3
HBA
3
HBD
100.9
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin A CHEMBL2094128 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| A2780 CHEMBL614004 | IC50 | 5.83 | 5.83 | 1468.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin A | IC50 | = | 4.0 | nM | 8.4 | In vitro inhibitory concentration against cyclin-dependent kinase 2-cyclin A com... | 15189033 |
| A2780 | IC50 | = | 1468.0 | nM | 5.83 | Antiproliferative activity against human A2780 cells | 15189033 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15189033 | 10.1021/jm031145u | Cyclin-dependent kinase 2/cyclin A | 1 |
| 15189033 | 10.1021/jm031145u | A2780 | 1 |
Data from ChEMBL 36 via Core Engine