Compound Detail
CHEMBL4289455
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CC(=O)OCC(COC(C)=O)c1ccc(NC(=O)c2nc(C#N)c[nH]2)c(C2=CCCCC2)c1.O=C(O)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL4289455 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SRTHBPKCLRIJCO-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3660759 |
| Active Moiety | CHEMBL3660759 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
450.5
MW (Da)
3.70
ALogP
7
HBA
2
HBD
134.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 8.36 | 8.36 | 4.4 | 1 |
| Macrophage colony-stimulating factor 1 receptor CHEMBL5570 | IC50 | 7.36 | 7.36 | 44.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 4.4 | nM | 8.36 | Inhibition of c-fms (unknown origin) assessed as inhibition of CSF-1R phosphoryl... | - |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 44.2 | nM | 7.36 | Inhibition of c-fms in mouse bone marrow macrophages assessed as reduction in re... | - |
Data from ChEMBL 36 via Core Engine