Compound Detail
CHEMBL444454
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CONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(CCS(=O)(=O)NC(C)=O)cc3)ncc2c1=O
Basic Information
| ChEMBL ID | CHEMBL444454 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZVKLAKFTPJGJCF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
576.6
MW (Da)
2.31
ALogP
10
HBA
3
HBD
161.4
PSA (Ų)
0.25
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 8.62 | 8.62 | 2.4 | 1 |
| Macrophage colony-stimulating factor 1 receptor CHEMBL5570 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 2.4 | nM | 8.62 | Inhibition of Fms by fluorescence polarization competition immunoassay | 19193011 |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 100.0 | nM | 7.0 | Inhibition of Fms-mediated CSF1-stimulated mouse BMDM proliferation by bromodeox... | 19193011 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19193011 | 10.1021/jm801406h | Macrophage colony-stimulating factor 1 receptor | 2 |
| 19193011 | 10.1021/jm801406h | Liver microsomes | 2 |
Data from ChEMBL 36 via Core Engine