Compound Detail
CHEMBL65140
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Basic Information
| ChEMBL ID | CHEMBL65140 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWRGLKUGYYXYSQ-XNTDXEJSSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
379.5
MW (Da)
3.91
ALogP
4
HBA
1
HBD
74.7
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 5.31 | 5.31 | 4900.0 | 1 |
| THP-1 CHEMBL614245 | IC50 | 4.55 | 4.55 | 28000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 4900.0 | nM | 5.31 | In vitro effect on production of calcium ionophore (A23187) -induced Leukotriene... | 10821716 |
| THP-1 | IC50 | = | 28000.0 | nM | 4.55 | 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