Compound Detail
CHEMBL96559
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Basic Information
| ChEMBL ID | CHEMBL96559 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GDAJGLDMCDMPIR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
336.4
MW (Da)
3.92
ALogP
3
HBA
2
HBD
46.3
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL324 | Ki | 7.92 | 7.92 | 12.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 7.65 | 7.65 | 22.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | Ki | = | 12.02 | nM | 7.92 | Binding affinity towards 5-HT 2C receptor in rat stomach fundus | 8709108 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 22.39 | nM | 7.65 | Binding affinity for 5-HT 2A in rat stomach fundus | 8709108 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8709108 | 10.1021/jm960062t | 5-hydroxytryptamine receptor 2A | 2 |
| 8709108 | 10.1021/jm960062t | 5-hydroxytryptamine receptor 2B | 1 |
| 8709108 | 10.1021/jm960062t | 5-hydroxytryptamine receptor 2C | 1 |
| 8709108 | 10.1021/jm960062t | Serotonin receptor 2a and 2b (5HT2A and 5HT2B) | 1 |
| 8709108 | 10.1021/jm960062t | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine