Compound Detail
CHEMBL2158288
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Basic Information
| ChEMBL ID | CHEMBL2158288 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UFIPENMOPMVCOL-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
476.6
MW (Da)
2.78
ALogP
6
HBA
4
HBD
134.1
PSA (Ų)
0.43
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 9.08 | 9.08 | 0.8 | 1 |
| Macrophage colony-stimulating factor 1 receptor CHEMBL5570 | IC50 | 8.36 | 8.36 | 4.4 | 1 |
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 5.29 | 5.29 | 5100.0 | 1 |
| Cytochrome P450 2C19 CHEMBL3622 | IC50 | 5.11 | 5.11 | 7700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 0.83 | nM | 9.08 | Inhibition of FMS mediated phosphorylation using SYEGNSYTFIDPTQ as substrate aft... | 22039836 |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 4.4 | nM | 8.36 | Inhibition of FMS-mediated proliferation in CSF1-stimulated bone marrow-derived ... | 22039836 |
| Cytochrome P450 3A4 | IC50 | = | 5100.0 | nM | 5.29 | Inhibition of CYP3A4 | 22039836 |
| Cytochrome P450 2C19 | IC50 | = | 7700.0 | nM | 5.11 | Inhibition of CYP2C19 | 22039836 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22039836 | 10.1021/jm200900q | Macrophage colony-stimulating factor 1 receptor | 2 |
| 22039836 | 10.1021/jm200900q | Liver microsomes | 1 |
| 22039836 | 10.1021/jm200900q | Cytochrome P450 1A2 | 1 |
| 22039836 | 10.1021/jm200900q | Cytochrome P450 2C9 | 1 |
| 22039836 | 10.1021/jm200900q | Cytochrome P450 2C19 | 1 |
| 22039836 | 10.1021/jm200900q | Cytochrome P450 3A4 | 1 |
| 22039836 | 10.1021/jm200900q | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 22039836 | 10.1021/jm200900q | Liver | 1 |
Data from ChEMBL 36 via Core Engine