Compound Detail
CHEMBL5219240
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Basic Information
| ChEMBL ID | CHEMBL5219240 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AFNNYMZEMGROFW-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
394.6
MW (Da)
3.39
ALogP
7
HBA
1
HBD
71.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 7.96 | 7.96 | 11.0 | 2 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 7.41 | 7.41 | 39.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.52 | 6.52 | 300.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 6.21 | 6.21 | 610.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 5.64 | 5.64 | 2290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 11.0 | nM | 7.96 | Displacement of [3H]-LSD from human 5-HT6R expressed in HEK293 cells by radiolig... | 35981459 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 11.0 | nM | 7.96 | Binding affinity to 5-HT6 receptor (unknown origin) | 38190615 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 39.0 | nM | 7.41 | Displacement of [3H]-Raclopride from human 5-HT2AR expressed in HEK293 cells by ... | 35981459 |
| D(2) dopamine receptor | Ki | = | 300.0 | nM | 6.52 | Displacement of [3H]-Raclopride from human dopamine D2 receptor expressed in HEK... | 35981459 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 610.0 | nM | 6.21 | Displacement of [3H]-5Carboxyamidotryptamine from human 5-HT7R expressed in HEK2... | 35981459 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 2290.0 | nM | 5.64 | Displacement of [3H]-Raclopride from human 5-HT1AR expressed in HEK293 cells by ... | 35981459 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35981459 | 10.1016/j.ejmech.2022.114645 | 5-hydroxytryptamine receptor 6 | 2 |
| 35981459 | 10.1016/j.ejmech.2022.114645 | 5-hydroxytryptamine receptor 1A | 1 |
| 35981459 | 10.1016/j.ejmech.2022.114645 | 5-hydroxytryptamine receptor 2A | 1 |
| 35981459 | 10.1016/j.ejmech.2022.114645 | 5-hydroxytryptamine receptor 7 | 1 |
| 35981459 | 10.1016/j.ejmech.2022.114645 | D(2) dopamine receptor | 1 |
| 38190615 | 10.1021/acs.jmedchem.3c02148 | 5-hydroxytryptamine receptor 6 | 1 |
Data from ChEMBL 36 via Core Engine