Compound Detail
CHEMBL451931
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CONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(C4CCN(CCO)CC4)cc3)ncc2c1=O
Basic Information
| ChEMBL ID | CHEMBL451931 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QHXRDFSJUBZKCP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
4
PK Parameters
3
Publications
0
Known Names
Molecular Properties
554.6
MW (Da)
3.48
ALogP
9
HBA
3
HBD
121.6
PSA (Ų)
0.28
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor CHEMBL5570 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 8.89 | 8.89 | 1.3 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 34.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 130.0 | nM | Rattus norvegicus |
| F | 8.0 | % | Rattus norvegicus |
| T1/2 | 3.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 1.0 | nM | 9.0 | Inhibition of Fms-mediated CSF1-stimulated mouse BMDM proliferation by bromodeox... | 19193011 |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 1.3 | nM | 8.89 | Inhibition of Fms by fluorescence polarization competition immunoassay | 19193011 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19193011 | 10.1021/jm801406h | Rattus norvegicus | 5 |
| 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