Compound Detail
CHEMBL314337
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CC(C)(C)CC(=O)c1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12
Basic Information
| ChEMBL ID | CHEMBL314337 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IUHIISLXVJPCRU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
597.2
MW (Da)
8.74
ALogP
5
HBA
1
HBD
81.4
PSA (Ų)
0.16
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclooxygenase CHEMBL2094253 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclooxygenase | IC50 | = | 2.0 | nM | 8.7 | The compound was tested for inhibitory activity against Prostaglandin G/H syntha... | 1635053 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1635053 | 10.1021/jm00092a001 | Cyclooxygenase | 1 |
Data from ChEMBL 36 via Core Engine