Compound Detail
CHEMBL402337
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Basic Information
| ChEMBL ID | CHEMBL402337 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NRRNXHWXRHOSFE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
389.5
MW (Da)
4.20
ALogP
4
HBA
3
HBD
93.6
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 9.4 | 9.4 | 0.4 | 1 |
| ADMET CHEMBL612558 | IC50 | 8.44 | 8.44 | 3.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 0.4 | nM | 9.4 | Inhibition of FMS | 18495479 |
| ADMET | IC50 | = | 3.6 | nM | 8.44 | Antiproliferative activity against BMDM cells | 18495479 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18495479 | 10.1016/j.bmcl.2008.04.059 | Macrophage colony-stimulating factor 1 receptor | 1 |
| 18495479 | 10.1016/j.bmcl.2008.04.059 | ADMET | 1 |
| 18495479 | 10.1016/j.bmcl.2008.04.059 | Liver | 1 |
Data from ChEMBL 36 via Core Engine