Compound Detail
CHEMBL65710
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Basic Information
| ChEMBL ID | CHEMBL65710 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OYASVWZGKNBLSA-UHFFFAOYSA-N |
8
Targets
8
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
348.5
MW (Da)
3.87
ALogP
5
HBA
0
HBD
23.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.34
EC50 1 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor CHEMBL2094116 | IC50 | 8.34 | 8.34 | 4.6 | 1 |
| Serotonin 3 (5-HT3) receptor CHEMBL2094132 | IC50 | 8.34 | 8.34 | 4.6 | 1 |
| NG108-15 CHEMBL613828 | EC50 | 7.52 | 7.52 | 30.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | IC50 | 5.43 | 5.43 | 3715.3 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | IC50 | 5.23 | 5.23 | 5888.4 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL3446 | IC50 | 4.71 | 4.71 | 19498.5 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL3459 | IC50 | 4.04 | 4.04 | 91201.1 | 1 |
| 5-hydroxytryptamine receptor 1D CHEMBL4105 | IC50 | 4.03 | 4.03 | 93325.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor | IC50 | = | 4.571 | nM | 8.34 | Binding affinity towards 5-hydroxytryptamine 3 receptor | 8642566 |
| Serotonin 3 (5-HT3) receptor | IC50 | = | 4.571 | nM | 8.34 | Binding affinity towards 5-hydroxytryptamine 3 receptor | 11229746 |
| NG108-15 | EC50 | = | 30.0 | nM | 7.52 | In vitro effective concentration against [14C]guanidinium uptake into NG 108-15 ... | 8642566 |
| 5-hydroxytryptamine receptor 2C | IC50 | = | 3715.35 | nM | 5.43 | Binding affinity towards 5-hydroxytryptamine 2C receptor | 8642566 |
| 5-hydroxytryptamine receptor 1A | IC50 | = | 5888.44 | nM | 5.23 | Binding affinity for 5-hydroxytryptamine 1A receptor | 8642566 |
| 5-hydroxytryptamine receptor 2A | IC50 | = | 19498.45 | nM | 4.71 | Binding affinity towards 5-hydroxytryptamine 2A receptor | 8642566 |
| 5-hydroxytryptamine receptor 1B | IC50 | = | 91201.08 | nM | 4.04 | Binding affinity for 5-hydroxytryptamine 1B receptor | 8642566 |
| 5-hydroxytryptamine receptor 1D | IC50 | = | 93325.43 | nM | 4.03 | Binding affinity for 5-hydroxytryptamine 1D receptor | 8642566 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8642566 | 10.1021/jm950543x | Serotonin 3 (5-HT3) receptor | 3 |
| 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 | NG108-15 | 1 |
| 11229746 | 10.1016/s0960-894x(00)00691-0 | Serotonin 3 (5-HT3) receptor | 1 |
Data from ChEMBL 36 via Core Engine