Compound Detail
CHEMBL62990
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Basic Information
| ChEMBL ID | CHEMBL62990 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BEEZEJNZAJOLSO-VBKFSLOCSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
379.6
MW (Da)
4.77
ALogP
3
HBA
1
HBD
57.6
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclooxygenase CHEMBL2095157 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
| THP-1 CHEMBL614245 | IC50 | 4.64 | 4.64 | 23000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclooxygenase | IC50 | = | 12.0 | nM | 7.92 | In vitro inhibitory effect on production of prostaglandin E2 (PGE2) in rat synov... | 10821716 |
| Rattus norvegicus | IC50 | = | 800.0 | nM | 6.1 | In vitro effect on production of calcium ionophore (A23187) -induced Leukotriene... | 10821716 |
| THP-1 | IC50 | = | 23000.0 | nM | 4.64 | In vitro effect on production of lipopolysaccharide (LPS) -induced IL1-beta in h... | 10821716 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10821716 | 10.1021/jm9906015 | Rattus norvegicus | 5 |
| 10821716 | 10.1021/jm9906015 | Cyclooxygenase | 1 |
| 10821716 | 10.1021/jm9906015 | THP-1 | 1 |
Data from ChEMBL 36 via Core Engine