Compound Detail
CHEMBL192440
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Basic Information
| ChEMBL ID | CHEMBL192440 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NUXNHYJNSHRNAN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
414.5
MW (Da)
4.90
ALogP
3
HBA
2
HBD
78.1
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin A CHEMBL2094128 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| A2780 CHEMBL614004 | IC50 | 4.82 | 4.82 | 15300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin A | IC50 | = | 200.0 | nM | 6.7 | Inhibition of cyclin dependent kinase 2-cyclin A | 15828833 |
| A2780 | IC50 | = | 15300.0 | nM | 4.82 | Inhibitory concentration towards human ovarian carcinoma cell line A2780 | 15828833 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15828833 | 10.1021/jm0408870 | ADMET | 2 |
| 15828833 | 10.1021/jm0408870 | Cyclin-dependent kinase 2/cyclin A | 1 |
| 15828833 | 10.1021/jm0408870 | A2780 | 1 |
Data from ChEMBL 36 via Core Engine