Compound Detail
CHEMBL317445
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Basic Information
| ChEMBL ID | CHEMBL317445 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GGXXGLMKNDUPRI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
344.4
MW (Da)
3.74
ALogP
5
HBA
2
HBD
84.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E1 CHEMBL1907605 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E1 | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of CDK2/Cyclin E (unknown origin) | 26741853 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12941325 | 10.1016/s0960-894x(03)00638-3 | Cyclin-dependent kinase 4 | 1 |
| 12941325 | 10.1016/s0960-894x(03)00638-3 | Cyclin-dependent kinase 2 | 1 |
| 26741853 | 10.1016/j.ejmech.2015.12.023 | Cyclin-dependent kinase 2/cyclin E1 | 1 |
Data from ChEMBL 36 via Core Engine