Compound Detail
CHEMBL236987
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Basic Information
| ChEMBL ID | CHEMBL236987 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJKCUWIKBVSDPR-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
315.4
MW (Da)
1.96
ALogP
5
HBA
2
HBD
91.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.04
Ki 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 9.0 | 9.0 | 1.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | EC50 | 7.04 | 7.04 | 91.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 1.0 | nM | 9.0 | Displacement of [3H]LSD from human 5HT6 receptor expressed in HeLa cells | 17948978 |
| 5-hydroxytryptamine receptor 6 | EC50 | = | 91.0 | nM | 7.04 | Agonist activity at human 5HT6 receptor expressed in HeLa cells assessed as cAMP... | 17948978 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17948978 | 10.1021/jm070521y | 5-hydroxytryptamine receptor 6 | 3 |
Data from ChEMBL 36 via Core Engine