Compound Detail
CHEMBL5962519
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CCN1CCN(c2cc(S(=O)(=O)n3cc(C(F)F)c4ccc(C(F)(F)F)cc43)ccc2OC)CC1
Basic Information
| ChEMBL ID | CHEMBL5962519 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WGTDNMGXSHGQQN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
517.5
MW (Da)
4.99
ALogP
6
HBA
0
HBD
54.8
PSA (Ų)
0.43
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | IC50 | 9.6 | 9.6 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | IC50 | = | 0.25 | nM | 9.6 | Biological Assay: The binding affinity of the compound of this invention to huma... | - |
Data from ChEMBL 36 via Core Engine