Compound Detail
CHEMBL5398307
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C[C@H](c1ccc(C(C)(C)C)cc1)N(C)c1ncnc2[nH]c(-c3ccc(CO)cc3)cc12
Basic Information
| ChEMBL ID | CHEMBL5398307 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LKSDIRXTBUSDSI-QGZVFWFLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
414.6
MW (Da)
5.61
ALogP
4
HBA
2
HBD
65.0
PSA (Ų)
0.45
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 7.26 | 7.26 | 55.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 55.0 | nM | 7.26 | Inhibition of CSF1R (530 to 910 residues) (unknown origin) | 37191268 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37191268 | 10.1021/acs.jmedchem.3c00428 | Macrophage colony-stimulating factor 1 receptor | 1 |
| 37191268 | 10.1021/acs.jmedchem.3c00428 | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine