Compound Detail
CHEMBL5967331
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Basic Information
| ChEMBL ID | CHEMBL5967331 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PFIWFAQPXJTVMJ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
472.6
MW (Da)
4.42
ALogP
8
HBA
1
HBD
75.0
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK4/Cyclin D3 CHEMBL3038472 | IC50 | 8.7 | 8.7 | 2.0 | 2 |
| Cyclin-dependent kinase 4/6 CHEMBL3885553 | IC50 | 7.64 | 7.64 | 23.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK4/Cyclin D3 | IC50 | = | 2.0 | nM | 8.7 | CDK Kinase Assays: To demonstrate that the compounds exhibit affinity for CDK ki... | - |
| CDK4/Cyclin D3 | IC50 | = | 2.0 | nM | 8.7 | CDK Kinase Assays: To demonstrate that the compounds exhibit affinity for CDK ki... | - |
| Cyclin-dependent kinase 4/6 | IC50 | = | 23.0 | nM | 7.64 | CDK Kinase Assays: To demonstrate that the compounds exhibit affinity for CDK ki... | - |
| Cyclin-dependent kinase 4/6 | IC50 | = | 23.0 | nM | 7.64 | CDK Kinase Assays: To demonstrate that the compounds exhibit affinity for CDK ki... | - |
Data from ChEMBL 36 via Core Engine