Compound Detail
CHEMBL398469
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Basic Information
| ChEMBL ID | CHEMBL398469 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WVKSXAGLSUYGDM-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
418.5
MW (Da)
3.39
ALogP
5
HBA
3
HBD
128.2
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.5 | 5.5 | 3200.0 | 1 |
| NSO CHEMBL615003 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 80.0 | nM | 7.1 | Inhibition of cfms | 17870531 |
| NON-PROTEIN TARGET | IC50 | = | 3200.0 | nM | 5.5 | Growth inhibition of MCSF expressing mouse M-NSF60 cells | 17870531 |
| NSO | IC50 | = | 13000.0 | nM | 4.89 | Growth inhibition of MCSF-independent mouse NSO cells | 17870531 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17870531 | 10.1016/j.bmcl.2007.09.009 | Macrophage colony-stimulating factor 1 receptor | 1 |
| 17870531 | 10.1016/j.bmcl.2007.09.009 | NON-PROTEIN TARGET | 1 |
| 17870531 | 10.1016/j.bmcl.2007.09.009 | NSO | 1 |
Data from ChEMBL 36 via Core Engine