Compound Detail
CHEMBL4286584
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CC1(C)CC=C(c2cc(C(C)(C)N3CCN(C(=O)[O-])CC3)ccc2NC(=O)c2nc(C#N)c[nH]2)CC1.[Na+]
Basic Information
| ChEMBL ID | CHEMBL4286584 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LECBBDQNDFHUCP-UHFFFAOYSA-M |
| Parent Compound | CHEMBL4301485 |
| Active Moiety | CHEMBL4301485 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
490.6
MW (Da)
4.66
ALogP
5
HBA
3
HBD
125.3
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 9.03 | 9.03 | 0.9 | 1 |
| Macrophage colony-stimulating factor 1 receptor CHEMBL5570 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 0.93 | nM | 9.03 | Inhibition of c-fms (unknown origin) assessed as inhibition of CSF-1R phosphoryl... | - |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 200.0 | nM | 6.7 | Inhibition of c-fms in mouse bone marrow macrophages assessed as reduction in re... | - |
Data from ChEMBL 36 via Core Engine