Compound Detail
CHEMBL6064060
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CN1CCN(c2ccc(Nc3ncc(F)c(-c4cc(F)c5nc6n(c5c4)C4(CCC6)CC4)n3)nc2)CC1
Basic Information
| ChEMBL ID | CHEMBL6064060 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PVALJOGFUQEXQH-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
502.6
MW (Da)
4.49
ALogP
8
HBA
1
HBD
75.0
PSA (Ų)
0.44
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK4/Cyclin D3 CHEMBL3038472 | IC50 | 8.77 | 8.645 | 1.7 | 2 |
| Cyclin-dependent kinase 4/6 CHEMBL3885553 | IC50 | 7.64 | 7.28 | 23.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK4/Cyclin D3 | IC50 | = | 1.7 | nM | 8.77 | CDK Kinase Assays: To demonstrate that the compounds exhibit affinity for CDK ki... | - |
| CDK4/Cyclin D3 | IC50 | = | 3.0 | nM | 8.52 | 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 | = | 121.0 | nM | 6.92 | CDK Kinase Assays: To demonstrate that the compounds exhibit affinity for CDK ki... | - |
Data from ChEMBL 36 via Core Engine