Compound Detail
CHEMBL435693
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Basic Information
| ChEMBL ID | CHEMBL435693 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IDAWGHDRGHHLAD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
374.8
MW (Da)
3.81
ALogP
5
HBA
1
HBD
63.6
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 4/cyclin D1 | IC50 | = | 15000.0 | nM | 4.82 | Inhibition of Cyclin-dependent kinase 4-cyclin D1 | 15537345 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15537345 | 10.1021/jm020455u | Cyclin-dependent kinase 4/cyclin D1 | 1 |
Data from ChEMBL 36 via Core Engine