Compound Detail
CHEMBL104546
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Basic Information
| ChEMBL ID | CHEMBL104546 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CLIUGFVSWUEMDX-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
286.4
MW (Da)
3.48
ALogP
4
HBA
2
HBD
57.5
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HaCaT CHEMBL614392 | IC50 | 5.85 | 5.85 | 1400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HaCaT | IC50 | = | 1400.0 | nM | 5.85 | Antiproliferative activity against HaCaT cells (human keratinocyte line) | 9371243 |
| HaCaT | IC50 | = | 1400.0 | nM | 5.85 | Tested for antiproliferative activity against HaCaT cells | 8759634 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9371243 | 10.1021/jm970292n | Molecular identity unknown | 2 |
| 9371243 | 10.1021/jm970292n | No relevant target | 1 |
| 9371243 | 10.1021/jm970292n | Arachidonate 5-lipoxygenase | 1 |
| 9371243 | 10.1021/jm970292n | HaCaT | 1 |
| 8759634 | 10.1021/jm960259l | Unchecked | 1 |
| 8759634 | 10.1021/jm960259l | Arachidonate 5-lipoxygenase | 1 |
| 8759634 | 10.1021/jm960259l | Polyunsaturated fatty acid lipoxygenase ALOX12 | 1 |
| 8759634 | 10.1021/jm960259l | HaCaT | 1 |
Data from ChEMBL 36 via Core Engine