Compound Detail
CHEMBL238770
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Basic Information
| ChEMBL ID | CHEMBL238770 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZRRZNRTZCFCZFL-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
338.5
MW (Da)
1.04
ALogP
7
HBA
2
HBD
94.3
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.02
Ki 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | IC50 | 8.02 | 8.02 | 9.6 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | IC50 | = | 9.6 | nM | 8.02 | Antagonist activity at human 5HT6 receptor expressed in HeLa cells assessed as c... | 17948978 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 10.0 | nM | 8.0 | Displacement of [3H]LSD from human 5HT6 receptor expressed in HeLa cells | 17948978 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17948978 | 10.1021/jm070521y | 5-hydroxytryptamine receptor 6 | 3 |
Data from ChEMBL 36 via Core Engine