Compound Detail
CHEMBL574050
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COc1cc2nccc(Oc3ccc(NC(=O)N4CCN(c5ccc(F)cc5)C4=O)cc3F)c2cc1OCCCN1CCOCC1
Basic Information
| ChEMBL ID | CHEMBL574050 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XETYZWDPAUDSEG-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
633.6
MW (Da)
5.89
ALogP
8
HBA
1
HBD
105.7
PSA (Ų)
0.22
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 7.52 | 7.46 | 30.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 30.0 | nM | 7.52 | Inhibition of TPR-Met assessed as autophosphorylation | 19854051 |
| Hepatocyte growth factor receptor | IC50 | = | 40.0 | nM | 7.4 | Inhibition of GST-tagged c-Met expressed in Sf9 cells | 19854051 |
| Unchecked | IC50 | = | 120.0 | nM | 6.92 | Inhibition of GST-tagged VEGFR expressed in Sf9 cells | 19854051 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19854051 | 10.1016/j.bmcl.2009.10.040 | Hepatocyte growth factor receptor | 2 |
| 19854051 | 10.1016/j.bmcl.2009.10.040 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine