Compound Detail
CHEMBL451918
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
CN1CCN(CCc2ccc(Nc3ncc4c(=O)c(C(=O)NCCO)cn(-c5ccc6c(c5)CCC6)c4n3)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL451918 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYRGPQZCWOMVAX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
567.7
MW (Da)
2.52
ALogP
9
HBA
3
HBD
115.6
PSA (Ų)
0.28
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 9.15 | 9.15 | 0.7 | 1 |
| Macrophage colony-stimulating factor 1 receptor CHEMBL5570 | IC50 | 7.25 | 7.25 | 56.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 0.7 | nM | 9.15 | Inhibition of Fms by fluorescence polarization competition immunoassay | 19193011 |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 56.0 | nM | 7.25 | 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 | 1 |
Data from ChEMBL 36 via Core Engine