Compound Detail
CHEMBL62445
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Basic Information
| ChEMBL ID | CHEMBL62445 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DYFVORIBDGMRNZ-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
334.4
MW (Da)
3.63
ALogP
5
HBA
1
HBD
32.6
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor CHEMBL2094116 | IC50 | 5.61 | 5.61 | 2454.7 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | IC50 | 5.21 | 5.21 | 6165.9 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| 5-hydroxytryptamine receptor 1D CHEMBL4105 | IC50 | 4.45 | 4.45 | 35481.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor | IC50 | = | 2454.71 | nM | 5.61 | Binding affinity towards 5-hydroxytryptamine 3 receptor | 8642566 |
| 5-hydroxytryptamine receptor 1A | IC50 | = | 6165.95 | nM | 5.21 | Binding affinity for 5-hydroxytryptamine 1A receptor | 8642566 |
| 5-hydroxytryptamine receptor 2C | IC50 | = | 10000.0 | nM | 5.0 | Binding affinity towards 5-hydroxytryptamine 2C receptor | 8642566 |
| 5-hydroxytryptamine receptor 1D | IC50 | = | 35481.34 | nM | 4.45 | Binding affinity for 5-hydroxytryptamine 1D 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