Compound Detail
CHEMBL3357103
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Basic Information
| ChEMBL ID | CHEMBL3357103 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XLLSSYMPYWALGH-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
284.3
MW (Da)
3.30
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 6.75 | 6.535 | 180.0 | 2 |
| Prostaglandin G/H synthase 1 CHEMBL2949 | IC50 | 6.44 | 6.44 | 360.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 | IC50 | = | 180.0 | nM | 6.75 | Inhibition of COX-1 in human OVCAR3 cells by cell-based assay | 25408841 |
| Prostaglandin G/H synthase 1 | IC50 | = | 360.0 | nM | 6.44 | Inhibition of ovine COX-1 assessed as inhibition of [14C]arachidonic acid to rad... | 25408841 |
| Prostaglandin G/H synthase 1 | IC50 | = | 480.0 | nM | 6.32 | Inhibition of COX1 (unknown origin) | 34055228 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25408841 | 10.1021/ml500344j | Prostaglandin G/H synthase 2 | 3 |
| 25408841 | 10.1021/ml500344j | Prostaglandin G/H synthase 1 | 2 |
| 34055228 | 10.1021/acsmedchemlett.1c00065 | Prostaglandin G/H synthase 1 | 1 |
| 34055228 | 10.1021/acsmedchemlett.1c00065 | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine