Compound Detail
CHEMBL97017
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Basic Information
| ChEMBL ID | CHEMBL97017 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GCEZYLSUTMYNRN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
218.3
MW (Da)
2.28
ALogP
2
HBA
1
HBD
28.3
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 4.71 | 4.71 | 19600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 19600.0 | nM | 4.71 | Binding affinity towards human 5-hydroxytryptamine 6 receptor | 12825922 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 19600.0 | nM | 4.71 | Binding affinity against 5-hydroxytryptamine 6 receptor | 15357994 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12825922 | 10.1021/jm030030n | 5-hydroxytryptamine receptor 6 | 1 |
| 15357994 | 10.1016/j.bmcl.2004.05.076 | 5-hydroxytryptamine receptor 6 | 1 |
Data from ChEMBL 36 via Core Engine