Compound Detail
CHEMBL357335
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CCC(OC)(c1cccc(COc2ccc3c(-c4ccccc4)c4c(cc3c2)C(=O)OC4)c1)c1nccs1
Basic Information
| ChEMBL ID | CHEMBL357335 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NWLWUOCHJFHUIU-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
521.6
MW (Da)
7.51
ALogP
6
HBA
0
HBD
57.6
PSA (Ų)
0.20
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 8.32 | 7.085 | 4.8 | 2 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 4.8 | nM | 8.32 | In vitro inhibition of LTB4 formation in human peripheral blood polymorphonuclea... | 8120869 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 160.0 | nM | 6.8 | In vitro potency against human 5-Lipoxygenase | 8120869 |
| Homo sapiens | IC50 | = | 1400.0 | nM | 5.85 | In vitro inhibition of LTB4 formation in human whole blood(HWB) | 8120869 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8120869 | 10.1021/jm00030a010 | Homo sapiens | 2 |
| 8120869 | 10.1021/jm00030a010 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
Data from ChEMBL 36 via Core Engine