Compound Detail
CHEMBL4788066
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Basic Information
| ChEMBL ID | CHEMBL4788066 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WKDAVYSGZOPRNY-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
399.5
MW (Da)
3.35
ALogP
8
HBA
1
HBD
91.4
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK4/Cyclin D3 CHEMBL3038472 | IC50 | 6.96 | 6.935 | 110.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK4/Cyclin D3 | IC50 | = | 110.0 | nM | 6.96 | Inhibition of human full-length N-terminal GST tagged CDK6 (1 to 326 residues)/G... | 32200202 |
| CDK4/Cyclin D3 | IC50 | = | 123.0 | nM | 6.91 | Inhibition of recombinant human full-length N-terminal GST-fused CDK4 (1 to 303 ... | 32200202 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32200202 | 10.1016/j.ejmech.2020.112239 | CDK4/Cyclin D3 | 2 |
Data from ChEMBL 36 via Core Engine