Compound Detail
CHEMBL5945809
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COc1cc(Nc2ncc(F)c(-c3cc(F)c4c(c3)N(C(C)C)CCO4)n2)ccc1N1CCNCC1
Basic Information
| ChEMBL ID | CHEMBL5945809 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XLQVSVGFKKDHDL-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
496.6
MW (Da)
4.19
ALogP
8
HBA
2
HBD
74.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 8.6 | 8.6 | 2.5 | 1 |
| Cyclin-dependent kinase 6 CHEMBL2508 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 | IC50 | = | 1.0 | nM | 9.0 | In Vitro Kinase Inhibition Assay: CDK4 and CDK6: IC50 values of compounds agains... | - |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 2.5 | nM | 8.6 | LanthaScreen Eu Kinase Binding Assay: FMS: IC50 values of compounds against FMS ... | - |
| Cyclin-dependent kinase 6 | IC50 | = | 13.0 | nM | 7.89 | In Vitro Kinase Inhibition Assay: CDK4 and CDK6: IC50 values of compounds agains... | - |
Data from ChEMBL 36 via Core Engine