Compound Detail
CHEMBL4760459
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Basic Information
| ChEMBL ID | CHEMBL4760459 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UNRQHHHIKHZJFK-NTEUORMPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
416.3
MW (Da)
6.61
ALogP
3
HBA
1
HBD
37.8
PSA (Ų)
0.41
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 CHEMBL2949 | IC50 | 6.11 | 6.11 | 780.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 | IC50 | = | 780.0 | nM | 6.11 | Inhibition of ovine COX-1 assessed as reduction in PGE2 production using 10 uM a... | 33854702 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33854702 | 10.1021/acsmedchemlett.1c00004 | Prostaglandin G/H synthase 1 | 1 |
| 33854702 | 10.1021/acsmedchemlett.1c00004 | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine