Compound Detail
CHEMBL5808765
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COc1ccc(S(=O)(=O)n2cc(C(F)F)c3ccc(C(F)(F)F)cc32)cc1N1CCN(C)CC1
Basic Information
| ChEMBL ID | CHEMBL5808765 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GDHYFZGARKUWPW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
503.5
MW (Da)
4.60
ALogP
6
HBA
0
HBD
54.8
PSA (Ų)
0.48
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | IC50 | 9.85 | 9.85 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | IC50 | = | 0.14 | nM | 9.85 | Biological Assay: The binding affinity of the compound of this invention to huma... | - |
Data from ChEMBL 36 via Core Engine