Compound Detail
CHEMBL5941236
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CC1(C)CCc2nc3c(F)cc(-c4nc(Nc5ccc(OCC6CCN(CCCO)CC6)cn5)ncc4F)cc3n21
Basic Information
| ChEMBL ID | CHEMBL5941236 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NXMIQKJGFTVADM-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
563.6
MW (Da)
5.06
ALogP
9
HBA
2
HBD
101.2
PSA (Ų)
0.29
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 9.96 | 9.96 | 0.1 | 1 |
| Cyclin-dependent kinase 6 CHEMBL2508 | IC50 | 8.99 | 8.99 | 1.0 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 7.35 | 7.35 | 44.9 | 1 |
| Cyclin-dependent kinase 5 CHEMBL4036 | IC50 | 6.89 | 6.89 | 128.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 | IC50 | = | 0.11 | nM | 9.96 | CDK4 Inhibition Assay: Test compounds (compound of the present invention, refere... | - |
| Cyclin-dependent kinase 6 | IC50 | = | 1.02 | nM | 8.99 | CDK6 Inhibition Assay: Test compounds (compound of the present invention, refere... | - |
| Cyclin-dependent kinase 2 | IC50 | = | 44.9 | nM | 7.35 | CDK2 Inhibition Assay: Test compounds (compound of the present invention, refere... | - |
| Cyclin-dependent kinase 5 | IC50 | = | 128.0 | nM | 6.89 | CDK5 Inhibition Assay: Test compounds (compound of the present invention, refere... | - |
Data from ChEMBL 36 via Core Engine