Compound Detail
CHEMBL196102
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL196102 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ARMHUQQMXHTFEW-KRWDZBQOSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
354.5
MW (Da)
3.52
ALogP
4
HBA
0
HBD
42.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.77
IC50 1 meas. best 7.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 8.77 | 8.535 | 1.7 | 2 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | IC50 | 7.09 | 7.09 | 81.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 1.7 | nM | 8.77 | Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells | 18201064 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 5.0 | nM | 8.3 | Displacement of [3H]LSD from cloned human 5-hydroxytryptamine 6 receptor express... | 16125933 |
| 5-hydroxytryptamine receptor 6 | IC50 | = | 81.4 | nM | 7.09 | Inhibition of cAMP production in HeLa cells expressing human 5-HT6 receptor | 16125933 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16125933 | 10.1016/j.bmcl.2005.07.028 | 5-hydroxytryptamine receptor 6 | 3 |
| 18201064 | 10.1021/jm070910s | 5-hydroxytryptamine receptor 6 | 1 |
Data from ChEMBL 36 via Core Engine