Compound Detail
CHEMBL4166092
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Basic Information
| ChEMBL ID | CHEMBL4166092 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UOQWCQXOZFZJSX-LJQANCHMSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
370.4
MW (Da)
4.10
ALogP
4
HBA
1
HBD
49.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 5.05 | 5.05 | 9000.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 4.15 | 4.15 | 71200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 9000.0 | nM | 5.05 | Displacement of [3H]-LSD from human 5-HT6 receptor expressed in HEK293 cell memb... | 29679900 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 71200.0 | nM | 4.15 | Displacement of [3H]-5-CT from human 5-HT7b receptor expressed in HEK293 cell me... | 29679900 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29679900 | 10.1016/j.ejmech.2018.04.010 | Unchecked | 3 |
| 29679900 | 10.1016/j.ejmech.2018.04.010 | 5-hydroxytryptamine receptor 1A | 1 |
| 29679900 | 10.1016/j.ejmech.2018.04.010 | 5-hydroxytryptamine receptor 6 | 1 |
| 29679900 | 10.1016/j.ejmech.2018.04.010 | 5-hydroxytryptamine receptor 7 | 1 |
Data from ChEMBL 36 via Core Engine