Compound Detail
CHEMBL585293
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Basic Information
| ChEMBL ID | CHEMBL585293 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FKNPFDGOZHGKTD-HNNXBMFYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
397.4
MW (Da)
4.49
ALogP
7
HBA
0
HBD
74.4
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.98
Ki 1 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 6.98 | 6.98 | 104.0 | 1 |
| Hepatocyte growth factor receptor CHEMBL3717 | Ki | 6.85 | 6.85 | 141.0 | 1 |
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 5.41 | 5.13 | 3900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 104.0 | nM | 6.98 | Inhibition of c-Met by HTRF assay | 19819693 |
| Hepatocyte growth factor receptor | Ki | = | 141.0 | nM | 6.85 | In Vitro Assay: A PCR product covering residues 1058-1365 of c-Met (c-Met kinase... | - |
| Cytochrome P450 3A4 | IC50 | = | 3900.0 | nM | 5.41 | Inhibition of human CYP3A4 in human liver microsomes preincubated with NADPH | 19819693 |
| Cytochrome P450 3A4 | IC50 | = | 14000.0 | nM | 4.85 | 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 |
Data from ChEMBL 36 via Core Engine