Compound Detail
CHEMBL4103584
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
Nc1ncc2ccc(-c3ccc(NC(=S)Nc4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)cc2n1
Basic Information
| ChEMBL ID | CHEMBL4103584 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FCKYDHPGSUSJSH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
507.5
MW (Da)
6.73
ALogP
4
HBA
3
HBD
75.9
PSA (Ų)
0.21
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiopoietin-1 receptor CHEMBL4128 | IC50 | 9.8 | 9.8 | 0.2 | 1 |
| EA.hy 926 CHEMBL4296410 | IC50 | 5.57 | 5.57 | 2680.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiopoietin-1 receptor | IC50 | = | 0.16 | nM | 9.8 | Inhibition of TIE-2 (unknown origin) after 60 mins by ADP-Glo assay | 28068599 |
| EA.hy 926 | IC50 | = | 2680.0 | nM | 5.57 | 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