Compound Detail
CHEMBL4790139
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Basic Information
| ChEMBL ID | CHEMBL4790139 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKSKMVMNCUHWCH-GJZGRUSLSA-N |
2
Targets
2
Activities
1
Assay Types
2
PK Parameters
2
Publications
0
Known Names
Molecular Properties
458.5
MW (Da)
3.14
ALogP
9
HBA
4
HBD
130.5
PSA (Ų)
0.42
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| Macrophage colony-stimulating factor 1 receptor CHEMBL5570 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 19.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 23.0 | mL.min-1.kg-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 11.0 | nM | 7.96 | Inhibition of AlexaFluor-labeled tracer 236 binding to recombinant human His-tag... | 32787110 |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 270.0 | nM | 6.57 | Inhibition of CSF1R in mouse NFS-60 cells assessed as reduction in CSF-induced c... | 32787110 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32787110 | 10.1021/acs.jmedchem.0c00936 | Macrophage colony-stimulating factor 1 receptor | 2 |
| 32787110 | 10.1021/acs.jmedchem.0c00936 | ADMET | 2 |
Data from ChEMBL 36 via Core Engine