Compound Detail
CHEMBL65793
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CCOC(=O)Cn1nc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(F)cc2)c1C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL65793 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ACMHHODLBDGSDF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
470.4
MW (Da)
4.34
ALogP
6
HBA
0
HBD
78.3
PSA (Ų)
0.40
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 6.36 | 6.36 | 440.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 440.0 | nM | 6.36 | In vitro inhibitory concentration against human Prostaglandin G/H synthase 2 | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00372-7 | Prostaglandin G/H synthase 1 | 1 |
| - | 10.1016/S0960-894X(97)00372-7 | Prostaglandin G/H synthase 2 | 1 |
| - | 10.1016/S0960-894X(97)00372-7 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine