Compound Detail
CHEMBL44880
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Basic Information
| ChEMBL ID | CHEMBL44880 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VVNCCCXQSQLSNG-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
332.4
MW (Da)
3.53
ALogP
4
HBA
3
HBD
77.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HaCaT CHEMBL614392 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
| Arachidonate 5-lipoxygenase CHEMBL2980 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Liposome CHEMBL614676 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HaCaT | IC50 | = | 700.0 | nM | 6.16 | Antiproliferative activity against HaCaT cells | 8201600 |
| Arachidonate 5-lipoxygenase | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of 5-lipoxygenase in bovine polymorphonuclear leukocytes | 8201600 |
| Liposome | IC50 | = | 25000.0 | nM | 4.6 | Inhibition of 2,2'-azobis(2-aminopropane)hydrochloride (AAPH) induced lipid pero... | 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 | Liposome | 1 |
| 8201600 | 10.1021/jm00037a017 | HaCaT | 1 |
| 8201600 | 10.1021/jm00037a017 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine