Compound Detail
CHEMBL365773
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COc1ccc(-c2oc3ncnc(N)c3c2-c2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL365773 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFCWIJFRSKCJGB-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
507.0
MW (Da)
5.60
ALogP
7
HBA
2
HBD
120.3
PSA (Ų)
0.31
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiopoietin-1 receptor CHEMBL4128 | IC50 | 6.07 | 6.07 | 851.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiopoietin-1 receptor | IC50 | = | 851.0 | nM | 6.07 | Inhibitory concentration against human tyrosine protein kinase receptor TIE-2 | 15837294 |
| Angiopoietin-1 receptor | IC50 | = | 851.14 | nM | 6.07 | Inhibition of Tie2 | 17293140 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15837294 | 10.1016/j.bmcl.2005.03.034 | Angiopoietin-1 receptor | 1 |
| 15837294 | 10.1016/j.bmcl.2005.03.034 | Vascular endothelial growth factor receptor 2 | 1 |
| 17293140 | 10.1016/j.jmgm.2006.12.001 | Angiopoietin-1 receptor | 1 |
Data from ChEMBL 36 via Core Engine