Compound Detail
CHEMBL521580
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CONC(=O)c1cn(C2CCC(C)(C)CC2)c2nc(Nc3ccc(C4CCN(C)CC4)cc3)ncc2c1=O
Basic Information
| ChEMBL ID | CHEMBL521580 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BLPRVVANGCJDCH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
518.7
MW (Da)
4.78
ALogP
8
HBA
2
HBD
101.4
PSA (Ų)
0.45
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 9.4 | 9.4 | 0.4 | 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 | = | 0.4 | nM | 9.4 | Inhibition of Fms by fluorescence polarization competition immunoassay | 19193011 |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 1.0 | nM | 9.0 | 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