Compound Detail
CHEMBL236988
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 | CHEMBL236988 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NXNLNVGGTUZXJZ-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
360.4
MW (Da)
2.40
ALogP
6
HBA
1
HBD
83.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.76
Ki 1 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 8.15 | 8.15 | 7.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | IC50 | 7.76 | 7.76 | 17.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 7.0 | nM | 8.15 | Displacement of [3H]LSD from human 5HT6 receptor expressed in HeLa cells | 17948978 |
| 5-hydroxytryptamine receptor 6 | IC50 | = | 17.5 | nM | 7.76 | Antagonist activity at human 5HT6 receptor expressed in HeLa cells assessed as c... | 17948978 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17948978 | 10.1021/jm070521y | 5-hydroxytryptamine receptor 6 | 3 |
Data from ChEMBL 36 via Core Engine