Compound Detail
CHEMBL162115
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Basic Information
| ChEMBL ID | CHEMBL162115 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XOVPZXXZORJJCG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
223.3
MW (Da)
3.19
ALogP
2
HBA
1
HBD
41.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclooxygenase CHEMBL2095157 | IC50 | 4.12 | 4.12 | 76000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclooxygenase | IC50 | = | 76000.0 | nM | 4.12 | Compound was tested for inhibition of prostaglandin synthetase when administered... | 6772786 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6772786 | 10.1021/jm00181a007 | Rattus norvegicus | 8 |
| 6772786 | 10.1021/jm00181a007 | Mus musculus | 3 |
| 6772786 | 10.1021/jm00181a007 | Cyclooxygenase | 1 |
Data from ChEMBL 36 via Core Engine