Compound Detail
CHEMBL4163655
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O=C(Nc1cccc(-c2ccc3c(=O)[nH]cnc3c2)c1)Nc1ccc(Cl)c(C(F)(F)F)c1
Basic Information
| ChEMBL ID | CHEMBL4163655 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ODFIZBSVZAOKGU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
458.8
MW (Da)
5.91
ALogP
3
HBA
3
HBD
86.9
PSA (Ų)
0.36
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ephrin type-B receptor 4 CHEMBL5147 | IC50 | 6.31 | 6.31 | 491.9 | 1 |
| EA.hy 926 CHEMBL4296410 | IC50 | 4.1 | 4.1 | 78780.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ephrin type-B receptor 4 | IC50 | = | 491.93 | nM | 6.31 | Inhibition of EphB4 (unknown origin) after 4 hrs by ADP-Glo luminescence assay | 29102175 |
| EA.hy 926 | IC50 | = | 78780.0 | nM | 4.1 | Anti-angiogenic activity in human EAhy926 cells as growth inhibition after 24 hr... | 29102175 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29102175 | 10.1016/j.ejmech.2017.10.030 | Vascular endothelial growth factor receptor 2 | 1 |
| 29102175 | 10.1016/j.ejmech.2017.10.030 | EA.hy 926 | 1 |
| 29102175 | 10.1016/j.ejmech.2017.10.030 | Ephrin type-B receptor 4 | 1 |
| 29102175 | 10.1016/j.ejmech.2017.10.030 | Angiopoietin-1 receptor | 1 |
Data from ChEMBL 36 via Core Engine