Compound Detail
CHEMBL4083001
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Nc1n[nH]c2cccc(-c3ccc(NC(=O)C4(C(=O)Nc5ccc(Cl)c(Cl)c5)CC4)cc3)c12
Basic Information
| ChEMBL ID | CHEMBL4083001 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DRWYYBMXZJLBHL-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
480.4
MW (Da)
5.48
ALogP
4
HBA
4
HBD
112.9
PSA (Ų)
0.28
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiopoietin-1 receptor CHEMBL4128 | IC50 | 8.46 | 8.46 | 3.5 | 1 |
| Ephrin type-B receptor 4 CHEMBL5147 | IC50 | 6.77 | 6.77 | 170.1 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.16 | 6.16 | 700.5 | 1 |
| EA.hy 926 CHEMBL4296410 | IC50 | 4.86 | 4.86 | 13860.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiopoietin-1 receptor | IC50 | = | 3.49 | nM | 8.46 | Inhibition of TIE-2 (unknown origin) after 60 mins by ADP-Glo assay | 28068599 |
| Ephrin type-B receptor 4 | IC50 | = | 170.11 | nM | 6.77 | Inhibition of EphB4 (unknown origin) after 60 mins by ADP-Glo assay | 28068599 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 700.53 | nM | 6.16 | Inhibition of VEGFR2 (unknown origin) after 60 mins by ADP-Glo assay | 28068599 |
| EA.hy 926 | IC50 | = | 13860.0 | nM | 4.86 | 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