Compound Detail
CHEMBL256712
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Basic Information
| ChEMBL ID | CHEMBL256712 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UKGCAEYEQULSSN-UHFFFAOYSA-N |
5
Targets
7
Activities
1
Assay Types
8
PK Parameters
15
Publications
0
Known Names
Molecular Properties
417.5
MW (Da)
4.22
ALogP
4
HBA
2
HBD
101.9
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 8.7 | 8.66 | 2.0 | 2 |
| Macrophage colony-stimulating factor 1 receptor CHEMBL5570 | IC50 | 8.25 | 8.25 | 5.6 | 1 |
| ADMET CHEMBL612558 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 7.24 | 7.24 | 57.0 | 2 |
| Cytochrome P450 2C19 CHEMBL3622 | IC50 | 5.04 | 5.04 | 9200.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 453.63 | ng.hr.mL-1 | Mus musculus |
| CL | 27.0 | mL.min-1.kg-1 | Mus musculus |
| Cmax | 500.59 | nM | Mus musculus |
| F | 15.0 | % | Mus musculus |
| T1/2 | 1.2 | hr | Mus musculus |
| T1/2 | 1.88 | hr | Mus musculus |
| Tmax | 0.5 | hr | Mus musculus |
| Vd | 2.8 | L.kg-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 2.0 | nM | 8.7 | Inhibition of FMS | 18495479 |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 2.4 | nM | 8.62 | Inhibition of FMS mediated phosphorylation using SYEGNSYTFIDPTQ as substrate aft... | 22039836 |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 5.6 | nM | 8.25 | Inhibition of FMS-mediated proliferation in CSF1-stimulated bone marrow-derived ... | 22039836 |
| ADMET | IC50 | = | 8.0 | nM | 8.1 | Antiproliferative activity against BMDM cells | 18495479 |
| Mast/stem cell growth factor receptor Kit | IC50 | = | 57.0 | nM | 7.24 | Fluorescence Polarization Kinase Assay: The compounds of the present invention a... | - |
| Mast/stem cell growth factor receptor Kit | IC50 | = | 57.0 | nM | 7.24 | Fluorescence Polarization Kinase Assay: The compounds of the present invention a... | - |
| Cytochrome P450 2C19 | IC50 | = | 9200.0 | nM | 5.04 | Inhibition of CYP2C19 | 22039836 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22039836 | 10.1021/jm200900q | Mus musculus | 11 |
| 20570147 | 10.1016/j.bmcl.2010.05.013 | ADMET | 6 |
| 22039836 | 10.1021/jm200900q | Macrophage colony-stimulating factor 1 receptor | 2 |
| 22039836 | 10.1021/jm200900q | Liver | 2 |
| 22039836 | 10.1021/jm200900q | Unchecked | 2 |
| 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 |
| 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 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine