Compound Detail
CHEMBL3260968
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COc1cc2nccc(Oc3ccc(NC(=O)c4c(OC)ccn(-c5ccc(F)cc5)c4=O)cc3F)c2cc1OC
Basic Information
| ChEMBL ID | CHEMBL3260968 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WJERAQUDBCLVIR-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
559.5
MW (Da)
5.73
ALogP
8
HBA
1
HBD
100.9
PSA (Ų)
0.26
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 8.77 | 8.77 | 1.7 | 1 |
| BaF3 CHEMBL614524 | IC50 | 7.44 | 7.44 | 36.3 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.24 | 7.24 | 57.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 1.7 | nM | 8.77 | Inhibition of c-Met (unknown origin) using poly Glu:Tyr (4:1) as substrate after... | 24792774 |
| BaF3 | IC50 | = | 36.3 | nM | 7.44 | Cytotoxicity against mouse BAF3 cells expressing TPR-Met assessed as growth inhi... | 24792774 |
| NON-PROTEIN TARGET | IC50 | = | 57.7 | nM | 7.24 | Cytotoxicity against human MKN45 cells assessed as growth inhibition after 72 hr... | 24792774 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24792774 | 10.1016/j.ejmech.2014.04.056 | BaF3 | 2 |
| 24792774 | 10.1016/j.ejmech.2014.04.056 | Hepatocyte growth factor receptor | 1 |
| 24792774 | 10.1016/j.ejmech.2014.04.056 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine