Compound Detail
CHEMBL3086173
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Basic Information
| ChEMBL ID | CHEMBL3086173 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TUFVFYQJYMMHMV-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
336.4
MW (Da)
3.03
ALogP
4
HBA
3
HBD
101.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 8.17 | 8.17 | 6.8 | 1 |
| Macrophage colony-stimulating factor 1 receptor CHEMBL5570 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 6.8 | nM | 8.17 | Inhibition of FMS (unknown origin) | 24138939 |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 40.0 | nM | 7.4 | Inhibition of FMS in mouse BMDM cells | 24138939 |
| Mast/stem cell growth factor receptor Kit | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of KIT in human Mo7e cells assessed as inhibition of SCF-dependent ce... | 24138939 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24138939 | 10.1016/j.bmcl.2013.09.061 | Liver microsome | 2 |
| 24138939 | 10.1016/j.bmcl.2013.09.061 | Macrophage colony-stimulating factor 1 receptor | 2 |
| 24138939 | 10.1016/j.bmcl.2013.09.061 | ADMET | 1 |
| 24138939 | 10.1016/j.bmcl.2013.09.061 | Unchecked | 1 |
| 24138939 | 10.1016/j.bmcl.2013.09.061 | Mast/stem cell growth factor receptor Kit | 1 |
Data from ChEMBL 36 via Core Engine