Compound Detail
CHEMBL3642246
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O=C(Nc1ccc(OC(F)(F)F)cc1)NC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL3642246 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XABOSVGDQFTNGO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
511.4
MW (Da)
4.58
ALogP
4
HBA
2
HBD
87.7
PSA (Ų)
0.58
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epoxide hydrolase 1 CHEMBL1968 | IC50 | 9.4 | 9.4 | 0.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epoxide hydrolase 1 | IC50 | = | 0.4 | nM | 9.4 | Inhibition Assay: Inhibition assay of human soluble epoxide hydrolases. | - |
Data from ChEMBL 36 via Core Engine