Compound Detail
CHEMBL5176463
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Basic Information
| ChEMBL ID | CHEMBL5176463 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PVJRMFPSELYQSP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
436.6
MW (Da)
4.10
ALogP
8
HBA
3
HBD
110.3
PSA (Ų)
0.28
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E1 CHEMBL1907605 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E1 | IC50 | = | 11.0 | nM | 7.96 | Inhibition of His-tagged CDK2/cyclin E1 (unknown origin) expressed in Sf9 cells ... | 35749742 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35749742 | 10.1021/acs.jmedchem.1c02184 | Unchecked | 2 |
| 35749742 | 10.1021/acs.jmedchem.1c02184 | Cyclin-dependent kinase 2/cyclin E1 | 1 |
Data from ChEMBL 36 via Core Engine