Compound Detail
CHEMBL149839
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Basic Information
| ChEMBL ID | CHEMBL149839 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICZDCNYKCROKCL-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
5.07
ALogP
3
HBA
0
HBD
27.7
PSA (Ų)
0.64
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 7.26 | 6.54 | 55.0 | 2 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 6.0 | 5.91 | 1000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 55.0 | nM | 7.26 | In vitro inhibition of LTB4 formation in human peripheral blood polymorphonuclea... | 8120869 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 1000.0 | nM | 6.0 | In vitro potency against human 5-Lipoxygenase | 8120869 |
| Homo sapiens | IC50 | = | 1500.0 | nM | 5.82 | In vitro inhibition of LTB4 formation in human whole blood(HWB) | 8120869 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of 5-LOX | 22537178 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8120869 | 10.1021/jm00030a010 | Homo sapiens | 2 |
| 8120869 | 10.1021/jm00030a010 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 22537178 | 10.1021/jm300288g | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
Data from ChEMBL 36 via Core Engine