Compound Detail
CHEMBL410500
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Basic Information
| ChEMBL ID | CHEMBL410500 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GMMZGDJCJCDIFZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
401.9
MW (Da)
4.13
ALogP
5
HBA
2
HBD
97.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclooxygenase CHEMBL2095157 | IC50 | 6.05 | 6.05 | 890.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclooxygenase | IC50 | = | 890.0 | nM | 6.05 | Tested for inhibition of cyclooxygenase (ARBC) in calcium-stimulated rat basophi... | - |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 1400.0 | nM | 5.85 | Tested for inhibition of 5-Lipoxygenase (ARBL) in calcium-stimulated rat basophi... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80450-3 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| - | 10.1016/S0960-894X(00)80450-3 | Cyclooxygenase | 1 |
Data from ChEMBL 36 via Core Engine