Compound Detail
CHEMBL4086694
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Nc1n[nH]c2cccc(-c3ccc(NC(=O)C4(C(=O)Nc5cc(Br)cc(C(F)(F)F)c5)CC4)cc3)c12
Basic Information
| ChEMBL ID | CHEMBL4086694 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NEJHRDWZMTYHKT-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
558.4
MW (Da)
5.95
ALogP
4
HBA
4
HBD
112.9
PSA (Ų)
0.23
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ephrin type-B receptor 4 CHEMBL5147 | IC50 | 8.04 | 8.04 | 9.2 | 1 |
| Angiopoietin-1 receptor CHEMBL4128 | IC50 | 7.88 | 7.88 | 13.2 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.46 | 7.46 | 34.7 | 1 |
| EA.hy 926 CHEMBL4296410 | IC50 | 4.76 | 4.76 | 17400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ephrin type-B receptor 4 | IC50 | = | 9.22 | nM | 8.04 | Inhibition of EphB4 (unknown origin) after 60 mins by ADP-Glo assay | 28068599 |
| Angiopoietin-1 receptor | IC50 | = | 13.22 | nM | 7.88 | Inhibition of TIE-2 (unknown origin) after 60 mins by ADP-Glo assay | 28068599 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 34.67 | nM | 7.46 | Inhibition of VEGFR2 (unknown origin) after 60 mins by ADP-Glo assay | 28068599 |
| EA.hy 926 | IC50 | = | 17400.0 | nM | 4.76 | Antiproliferative activity against human EAhy926 cells after 48 hrs by MTT 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 |
| 28068599 | 10.1016/j.ejmech.2016.12.059 | EA.hy 926 | 1 |
Data from ChEMBL 36 via Core Engine