Compound Detail
CHEMBL3986331
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NS(=O)(=O)c1ccccc1NS(=O)(=O)CCc1ccc(C#Cc2ccc(C(F)(F)F)cc2)nc1
Basic Information
| ChEMBL ID | CHEMBL3986331 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BIDKABNCGXRVPK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
509.5
MW (Da)
3.13
ALogP
5
HBA
2
HBD
119.2
PSA (Ų)
0.50
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E synthase 2 CHEMBL4411 | IC50 | 7.51 | 7.51 | 31.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E synthase 2 | IC50 | = | 31.0 | nM | 7.51 | Biochemical Assay: A solution of test compound was added to a diluted microsome ... | - |
Data from ChEMBL 36 via Core Engine