Compound Detail
CHEMBL3357113
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Basic Information
| ChEMBL ID | CHEMBL3357113 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BAOIOVGYDQIHQK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
282.3
MW (Da)
3.86
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 CHEMBL2949 | IC50 | 5.01 | 5.01 | 9750.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 | IC50 | = | 9750.0 | nM | 5.01 | Inhibition of ovine COX-1 assessed as inhibition of [14C]arachidonic acid to rad... | 25408841 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25408841 | 10.1021/ml500344j | Prostaglandin G/H synthase 1 | 1 |
| 25408841 | 10.1021/ml500344j | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine