Compound Detail
CHEMBL391890
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COc1ccc2cc(-c3nc(-c4ccc(S(C)(=O)=O)cc4)[nH]c3-c3ccncc3)ccc2c1
Basic Information
| ChEMBL ID | CHEMBL391890 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KOVZYHXVGPUREJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
455.5
MW (Da)
5.37
ALogP
5
HBA
1
HBD
84.9
PSA (Ų)
0.39
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiopoietin-1 receptor CHEMBL4128 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiopoietin-1 receptor | IC50 | = | 250.0 | nM | 6.6 | Inhibition of Tie2 | 17826092 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17826092 | 10.1016/j.bmcl.2007.08.052 | Angiopoietin-1 receptor | 1 |
Data from ChEMBL 36 via Core Engine