Compound Detail
CHEMBL59871
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Basic Information
| ChEMBL ID | CHEMBL59871 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SGIYBWPOFTVQDS-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
331.4
MW (Da)
3.25
ALogP
4
HBA
1
HBD
37.4
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor CHEMBL2094116 | Ki | 7.91 | 7.91 | 12.3 | 2 |
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 6.48 | 6.48 | 330.0 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL3459 | Ki | 6.38 | 6.38 | 420.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 5.5 | 5.5 | 3200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor | Ki | = | 12.3 | nM | 7.91 | Binding affinity for 5-hydroxytryptamine 3 receptor from rat cortex using [3H]BR... | 7629808 |
| Serotonin 3 (5-HT3) receptor | Ki | = | 12.3 | nM | 7.91 | Rat 5-hydroxytryptamine 3 receptor (5-HT3) antagonist | 9622544 |
| Sodium-dependent serotonin transporter | Ki | = | 330.0 | nM | 6.48 | Effect of compound on Serotonin transporter uptake from rat cortex using [3H]cit... | 7629808 |
| 5-hydroxytryptamine receptor 1B | Ki | = | 420.0 | nM | 6.38 | The compound was tested for their binding affinity towards 5-hydroxytryptamine 1... | 7629808 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 3200.0 | nM | 5.5 | Binding affinity to 5-hydroxytryptamine 2A receptor from rat cortex assayed usin... | 7629808 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7629808 | 10.1021/jm00014a021 | Serotonin 3 (5-HT3) receptor | 1 |
| 7629808 | 10.1021/jm00014a021 | 5-hydroxytryptamine receptor 2A | 1 |
| 7629808 | 10.1021/jm00014a021 | Sodium-dependent serotonin transporter | 1 |
| 7629808 | 10.1021/jm00014a021 | 5-hydroxytryptamine receptor 1B | 1 |
| 7629808 | 10.1021/jm00014a021 | 5-hydroxytryptamine receptor 2C | 1 |
| 7629808 | 10.1021/jm00014a021 | 5-hydroxytryptamine receptor 1A | 1 |
| 9622544 | 10.1021/jm970745o | Serotonin 3 (5-HT3) receptor | 1 |
Data from ChEMBL 36 via Core Engine