Compound Detail
CHEMBL45142
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Basic Information
| ChEMBL ID | CHEMBL45142 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQYMFFPNXONBFL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
434.5
MW (Da)
4.43
ALogP
6
HBA
2
HBD
85.2
PSA (Ų)
0.45
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HaCaT CHEMBL614392 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Arachidonate 5-lipoxygenase CHEMBL2980 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HaCaT | IC50 | = | 2000.0 | nM | 5.7 | Antiproliferative activity against HaCaT cells | 8201600 |
| Arachidonate 5-lipoxygenase | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of 5-lipoxygenase in bovine polymorphonuclear leukocytes | 8201600 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8201600 | 10.1021/jm00037a017 | Unchecked | 2 |
| 8201600 | 10.1021/jm00037a017 | Arachidonate 5-lipoxygenase | 1 |
| 8201600 | 10.1021/jm00037a017 | HaCaT | 1 |
| 8201600 | 10.1021/jm00037a017 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine