Compound Detail
CHEMBL304016
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Basic Information
| ChEMBL ID | CHEMBL304016 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RBSAECWKODMNRM-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
350.5
MW (Da)
4.49
ALogP
4
HBA
0
HBD
25.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor CHEMBL2094116 | Ki | 7.34 | 7.34 | 45.7 | 2 |
| 5-hydroxytryptamine receptor 1B CHEMBL3459 | Ki | 5.89 | 5.89 | 1300.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 5.55 | 5.55 | 2800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor | Ki | = | 45.9 | nM | 7.34 | Binding affinity for 5-hydroxytryptamine 3 receptor from rat cortex using [3H]BR... | 7629808 |
| Serotonin 3 (5-HT3) receptor | Ki | = | 45.71 | nM | 7.34 | Rat 5-hydroxytryptamine 3 receptor (5-HT3) antagonist | 9622544 |
| 5-hydroxytryptamine receptor 1B | Ki | = | 1300.0 | nM | 5.89 | The compound was tested for their binding affinity towards 5-hydroxytryptamine 1... | 7629808 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 2800.0 | nM | 5.55 | 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 | 5-hydroxytryptamine receptor 1B | 1 |
| 7629808 | 10.1021/jm00014a021 | 5-hydroxytryptamine receptor 2C | 1 |
| 7629808 | 10.1021/jm00014a021 | Sodium-dependent serotonin transporter | 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