Compound Detail
CHEMBL204171
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Basic Information
| ChEMBL ID | CHEMBL204171 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DHXAAEUVXXASMB-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
369.5
MW (Da)
4.22
ALogP
3
HBA
0
HBD
37.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 8.1 | 8.1 | 8.0 | 2 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.46 | 7.46 | 35.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.46 | 7.46 | 35.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 7.19 | 7.19 | 65.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 7.19 | 7.19 | 65.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 8.0 | nM | 8.1 | Displacement of [3H]5-HT from the cloned human 5-HT7 receptor expressed in CHO c... | 16337790 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 8.0 | nM | 8.1 | Binding affinity to human cloned 5HT7 receptor expressed in HEK293 cells | 19560916 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 35.0 | nM | 7.46 | Displacement of [3H]5-HT from the cloned human 5-HT1A receptor expressed in HeLa... | 16337790 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 35.0 | nM | 7.46 | Binding affinity to 5HT1A receptor in rat hippocampus | 19560916 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 65.0 | nM | 7.19 | Displacement of [3H]ketanserin from the cloned human 5-HT2A receptor expressed i... | 16337790 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 65.0 | nM | 7.19 | Binding affinity to 5HT2A receptor in rat cortex | 19560916 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16337790 | 10.1016/j.bmcl.2005.11.067 | 5-hydroxytryptamine receptor 7 | 2 |
| 16337790 | 10.1016/j.bmcl.2005.11.067 | 5-hydroxytryptamine receptor 1A | 1 |
| 16337790 | 10.1016/j.bmcl.2005.11.067 | 5-hydroxytryptamine receptor 2A | 1 |
| 19560916 | 10.1016/j.bmcl.2009.06.038 | 5-hydroxytryptamine receptor 1A | 1 |
| 19560916 | 10.1016/j.bmcl.2009.06.038 | 5-hydroxytryptamine receptor 2A | 1 |
| 19560916 | 10.1016/j.bmcl.2009.06.038 | 5-hydroxytryptamine receptor 7 | 1 |
Data from ChEMBL 36 via Core Engine