Compound Detail
CHEMBL1171607
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CN1CC(c2ccc(NC(=O)c3nc(C#N)c[nH]3)c(C3=CCCCC3)c2)CN(C)S1(=O)=O
Basic Information
| ChEMBL ID | CHEMBL1171607 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UBCZMKNXPWCKQP-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
5
PK Parameters
4
Publications
0
Known Names
Molecular Properties
454.6
MW (Da)
2.70
ALogP
5
HBA
2
HBD
122.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 8.77 | 8.77 | 1.7 | 1 |
| Macrophage colony-stimulating factor 1 CHEMBL3638330 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.44 | 8.44 | 3.6 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 4.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 1845.74 | nM | Rattus norvegicus |
| F | 15.0 | % | Rattus norvegicus |
| T1/2 | 1.883 | hr | Rattus norvegicus |
| Vd | 0.564 | L.kg-1 | 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 | = | 1.7 | nM | 8.77 | Inhibition of human FMS by fluorescence polarization | 20570147 |
| Macrophage colony-stimulating factor 1 | IC50 | = | 2.0 | nM | 8.7 | Fluorescence Polarization Competition Immunoassay: A fluorescence polarization c... | - |
| Unchecked | IC50 | = | 3.6 | nM | 8.44 | Inhibition of CSF1-induced mouse BMDM cell proliferation | 20570147 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20570147 | 10.1016/j.bmcl.2010.05.013 | Rattus norvegicus | 6 |
| 20570147 | 10.1016/j.bmcl.2010.05.013 | Unchecked | 3 |
| 20570147 | 10.1016/j.bmcl.2010.05.013 | Liver microsomes | 2 |
| 20570147 | 10.1016/j.bmcl.2010.05.013 | Macrophage colony-stimulating factor 1 receptor | 1 |
Data from ChEMBL 36 via Core Engine