Compound Detail
CHEMBL4071731
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Nc1n[nH]c2cccc(-c3ccc(NC(=O)C4(C(=O)Nc5ccc(OC(F)(F)F)cc5Br)CC4)cc3)c12
Basic Information
| ChEMBL ID | CHEMBL4071731 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UCVJQRATLIFUON-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
574.4
MW (Da)
5.83
ALogP
5
HBA
4
HBD
122.1
PSA (Ų)
0.22
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ephrin type-B receptor 4 CHEMBL5147 | IC50 | 8.44 | 8.44 | 3.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ephrin type-B receptor 4 | IC50 | = | 3.6 | nM | 8.44 | Inhibition of EphB4 (unknown origin) after 60 mins by ADP-Glo assay | 28068599 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28068599 | 10.1016/j.ejmech.2016.12.059 | Vascular endothelial growth factor receptor 2 | 1 |
| 28068599 | 10.1016/j.ejmech.2016.12.059 | Angiopoietin-1 receptor | 1 |
| 28068599 | 10.1016/j.ejmech.2016.12.059 | Ephrin type-B receptor 4 | 1 |
Data from ChEMBL 36 via Core Engine