Compound Detail
CHEMBL17023
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Basic Information
| ChEMBL ID | CHEMBL17023 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJEKVOJHPYSPSL-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
409.5
MW (Da)
5.70
ALogP
3
HBA
1
HBD
64.6
PSA (Ų)
0.39
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiopoietin-1 receptor CHEMBL4128 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 6.11 | 6.11 | 770.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiopoietin-1 receptor | IC50 | = | 300.0 | nM | 6.52 | Inhibition of Tie2 kinase by autophosphorylation assay | 17618114 |
| Unchecked | IC50 | = | 300.0 | nM | 6.52 | Inhibition of P38 kinase | 17618114 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 770.0 | nM | 6.11 | Inhibitory activity against interleukin-1 (IL-1) synthesis, using intact human m... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00189-Z | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 17618114 | 10.1016/j.bmcl.2007.06.068 | Angiopoietin-1 receptor | 1 |
| 17618114 | 10.1016/j.bmcl.2007.06.068 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine