Compound Detail
CHEMBL63114
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Basic Information
| ChEMBL ID | CHEMBL63114 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AKSHVAMBSAMQEI-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
257.4
MW (Da)
3.54
ALogP
4
HBA
0
HBD
20.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | IC50 | 4.24 | 4.24 | 57544.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | IC50 | 4.19 | 4.19 | 64565.4 | 1 |
| Serotonin 3 (5-HT3) receptor CHEMBL2094116 | IC50 | 4.14 | 4.14 | 72443.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | IC50 | = | 57543.99 | nM | 4.24 | Binding affinity towards 5-hydroxytryptamine 2C receptor | 8642566 |
| 5-hydroxytryptamine receptor 1A | IC50 | = | 64565.42 | nM | 4.19 | Binding affinity for 5-hydroxytryptamine 1A receptor | 8642566 |
| Serotonin 3 (5-HT3) receptor | IC50 | = | 72443.6 | nM | 4.14 | Binding affinity towards 5-hydroxytryptamine 3 receptor | 8642566 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8642566 | 10.1021/jm950543x | 5-hydroxytryptamine receptor 1A | 1 |
| 8642566 | 10.1021/jm950543x | 5-hydroxytryptamine receptor 1B | 1 |
| 8642566 | 10.1021/jm950543x | 5-hydroxytryptamine receptor 1D | 1 |
| 8642566 | 10.1021/jm950543x | 5-hydroxytryptamine receptor 2A | 1 |
| 8642566 | 10.1021/jm950543x | 5-hydroxytryptamine receptor 2C | 1 |
| 8642566 | 10.1021/jm950543x | Serotonin 3 (5-HT3) receptor | 1 |
Data from ChEMBL 36 via Core Engine