Compound Detail
CHEMBL459875
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O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1cccc(-c2ccccc2)[n+]1[O-]
Basic Information
| ChEMBL ID | CHEMBL459875 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QDVLUPLLJVFWGU-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
440.4
MW (Da)
5.05
ALogP
4
HBA
2
HBD
94.0
PSA (Ų)
0.30
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 8.89 | 8.89 | 1.3 | 2 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 1.3 | nM | 8.89 | Inhibition of MET | 18690676 |
| Hepatocyte growth factor receptor | IC50 | = | 1.3 | nM | 8.89 | Inhibition of human c-MET | 21641696 |
| NON-PROTEIN TARGET | IC50 | = | 40.0 | nM | 7.4 | Antiproliferative activity against human GTL16 cells after 72 hrs by MTS assay | 18690676 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18690676 | 10.1021/jm800476q | Hepatocyte growth factor receptor | 1 |
| 18690676 | 10.1021/jm800476q | NON-PROTEIN TARGET | 1 |
| 18690676 | 10.1021/jm800476q | NCI-N87 | 1 |
| 21641696 | 10.1016/j.ejmech.2011.05.031 | Hepatocyte growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine