Compound Detail
CHEMBL162840
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Basic Information
| ChEMBL ID | CHEMBL162840 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VFHQMOPQDPVAMG-JYRVWZFOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
395.3
MW (Da)
5.53
ALogP
4
HBA
2
HBD
41.1
PSA (Ų)
0.53
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 6.09 | 6.09 | 820.0 | 1 |
| Cyclooxygenase CHEMBL2095157 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 820.0 | nM | 6.09 | Compound was evaluated for its inhibitory activity against 5-LO (5-lipoxygenase) | - |
| Cyclooxygenase | IC50 | = | 6000.0 | nM | 5.22 | Compound was evaluated for its inhibitory activity against CO(cyclooxygenase) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80396-0 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| - | 10.1016/S0960-894X(00)80396-0 | Cyclooxygenase | 1 |
Data from ChEMBL 36 via Core Engine