Compound Detail
CHEMBL4166703
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Nc1ncc2ccc(-c3ccc(NC(=O)C4(C(=O)Nc5ccc(OC(F)(F)F)cc5Br)CC4)cc3)cc2n1
Basic Information
| ChEMBL ID | CHEMBL4166703 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GWOQAHMEAOMNTI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
586.4
MW (Da)
5.90
ALogP
6
HBA
3
HBD
119.2
PSA (Ų)
0.24
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| EA.hy 926 CHEMBL4296410 | IC50 | 4.12 | 4.12 | 76720.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| EA.hy 926 | IC50 | = | 76720.0 | nM | 4.12 | 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 | Angiopoietin-1 receptor | 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 |
Data from ChEMBL 36 via Core Engine