Compound Detail
CHEMBL567908
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Basic Information
| ChEMBL ID | CHEMBL567908 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DQDNVYJAOVRUOQ-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
404.5
MW (Da)
3.69
ALogP
9
HBA
0
HBD
87.3
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.52
Ki 1 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | Ki | 8.8 | 8.8 | 1.6 | 1 |
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 8.52 | 8.52 | 3.0 | 2 |
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 5.32 | 5.045 | 4800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | Ki | = | 1.6 | nM | 8.8 | In Vitro Assay: A PCR product covering residues 1058-1365 of c-Met (c-Met kinase... | - |
| Hepatocyte growth factor receptor | IC50 | = | 3.0 | nM | 8.52 | Inhibition of c-Met by HTRF assay | 19819693 |
| Hepatocyte growth factor receptor | IC50 | = | 3.0 | nM | 8.52 | Inhibition of human c-MET | 21641696 |
| Cytochrome P450 3A4 | IC50 | = | 4800.0 | nM | 5.32 | Inhibition of human CYP3A4 in human liver microsomes preincubated with NADPH | 19819693 |
| Cytochrome P450 3A4 | IC50 | = | 17000.0 | nM | 4.77 | Inhibition of human CYP3A4 | 19819693 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19819693 | 10.1016/j.bmcl.2009.09.096 | Cytochrome P450 3A4 | 3 |
| 19819693 | 10.1016/j.bmcl.2009.09.096 | Hepatocyte growth factor receptor | 1 |
| 21641696 | 10.1016/j.ejmech.2011.05.031 | Hepatocyte growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine