Compound Detail
CHEMBL5192603
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Basic Information
| ChEMBL ID | CHEMBL5192603 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZBXAWGOTIZQGFY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
367.8
MW (Da)
4.27
ALogP
5
HBA
2
HBD
79.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.6 | 8.6 | 2.5 | 1 |
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2.5 | nM | 8.6 | Inhibition of CDK1/Cyclin B (unknown origin) | 35485642 |
| Cyclin-dependent kinase 4/cyclin D1 | IC50 | = | 21.0 | nM | 7.68 | Inhibition of CDK4/Cyclin D1 (unknown origin) | 35485642 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35485642 | 10.1021/acs.jmedchem.1c02064 | Unchecked | 1 |
| 35485642 | 10.1021/acs.jmedchem.1c02064 | Cyclin-dependent kinase 4/cyclin D1 | 1 |
Data from ChEMBL 36 via Core Engine