Compound Detail
CHEMBL4292129
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CN(C)CCOC(C)(C)c1ccc(NC(=O)c2nc(C#N)c[nH]2)c(C2=CCC(C)(C)CC2)c1.O=C(O)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL4292129 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VYFASGQBMUXTMW-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3086316 |
| Active Moiety | CHEMBL3086316 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
449.6
MW (Da)
4.94
ALogP
5
HBA
2
HBD
94.0
PSA (Ų)
0.60
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 9.1 | 9.1 | 0.8 | 1 |
| Macrophage colony-stimulating factor 1 receptor CHEMBL5570 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 0.8 | nM | 9.1 | Inhibition of c-fms (unknown origin) assessed as inhibition of CSF-1R phosphoryl... | - |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 1.0 | nM | 9.0 | Inhibition of c-fms in mouse bone marrow macrophages assessed as reduction in re... | - |
Data from ChEMBL 36 via Core Engine