Compound Detail
CHEMBL5851484
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CC(C)N1CCOc2c(F)cc(-c3nc(Nc4ccc(N5CCN(C(=O)CO)CC5)cn4)ncc3F)cc21
Basic Information
| ChEMBL ID | CHEMBL5851484 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PTUBNTQWBQUBRX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
525.6
MW (Da)
2.81
ALogP
9
HBA
2
HBD
107.0
PSA (Ų)
0.50
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 6 CHEMBL2508 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 | IC50 | = | 2.0 | nM | 8.7 | In Vitro Kinase Inhibition Assay: CDK4 and CDK6: IC50 values of compounds agains... | - |
| Cyclin-dependent kinase 6 | IC50 | = | 2.0 | nM | 8.7 | In Vitro Kinase Inhibition Assay: CDK4 and CDK6: IC50 values of compounds agains... | - |
Data from ChEMBL 36 via Core Engine