Compound Detail
CHEMBL96759
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Basic Information
| ChEMBL ID | CHEMBL96759 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JYSWDMZEZSKFQK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
403.4
MW (Da)
3.41
ALogP
5
HBA
3
HBD
98.1
PSA (Ų)
0.36
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HaCaT CHEMBL614392 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
| Arachidonate 5-lipoxygenase CHEMBL2980 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HaCaT | IC50 | = | 900.0 | nM | 6.05 | Antiproliferative activity (AA) against HaCaT keratinocytes. | 9276024 |
| Arachidonate 5-lipoxygenase | IC50 | = | 5000.0 | nM | 5.3 | 5-LO inhibitory activity, measured by production of 5-hydroxyeicosatetraenoic ac... | 9276024 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9276024 | 10.1021/jm9701785 | Molecular identity unknown | 1 |
| 9276024 | 10.1021/jm9701785 | Arachidonate 5-lipoxygenase | 1 |
| 9276024 | 10.1021/jm9701785 | HaCaT | 1 |
Data from ChEMBL 36 via Core Engine