Compound Detail
CHEMBL422010
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Basic Information
| ChEMBL ID | CHEMBL422010 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YDJRTXWNSWVXJC-VUTHCHCSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
446.6
MW (Da)
6.30
ALogP
5
HBA
1
HBD
81.0
PSA (Ų)
0.25
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 13.0 | nM | 7.89 | Inhibition of calcium ionophore (A-23187)-stimulated LTB4 formation in human neu... | 10691695 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10691695 | 10.1021/jm9904102 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 10691695 | 10.1021/jm9904102 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine