Compound Detail
CHEMBL5915046
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CC1(C)CCc2nc3c(F)cc(-c4nc(Nc5ccc(OC6CCN(CCO)CC6)cn5)ncc4F)cc3n21
Basic Information
| ChEMBL ID | CHEMBL5915046 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WQGCPJJNZKLUAU-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
535.6
MW (Da)
4.43
ALogP
9
HBA
2
HBD
101.2
PSA (Ų)
0.36
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 9.6 | 9.6 | 0.2 | 1 |
| Cyclin-dependent kinase 6 CHEMBL2508 | IC50 | 8.56 | 8.56 | 2.7 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 7.15 | 7.15 | 70.3 | 1 |
| Cyclin-dependent kinase 5 CHEMBL4036 | IC50 | 6.67 | 6.67 | 213.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 | IC50 | = | 0.25 | nM | 9.6 | CDK4 Inhibition Assay: Test compounds (compound of the present invention, refere... | - |
| Cyclin-dependent kinase 6 | IC50 | = | 2.72 | nM | 8.56 | CDK6 Inhibition Assay: Test compounds (compound of the present invention, refere... | - |
| Cyclin-dependent kinase 2 | IC50 | = | 70.3 | nM | 7.15 | CDK2 Inhibition Assay: Test compounds (compound of the present invention, refere... | - |
| Cyclin-dependent kinase 5 | IC50 | = | 213.0 | nM | 6.67 | CDK5 Inhibition Assay: Test compounds (compound of the present invention, refere... | - |
Data from ChEMBL 36 via Core Engine