Compound Detail
CHEMBL261977
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Basic Information
| ChEMBL ID | CHEMBL261977 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DXTRNUSQQPMWSC-XBXARRHUSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
374.5
MW (Da)
4.38
ALogP
5
HBA
0
HBD
23.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | IC50 | 7.08 | 7.08 | 83.2 | 1 |
| Serotonin 3 (5-HT3) receptor CHEMBL2094116 | IC50 | 6.7 | 6.7 | 199.5 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL3459 | IC50 | 6.19 | 6.19 | 645.6 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | IC50 | 6.15 | 6.15 | 708.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL3446 | IC50 | 6.07 | 6.07 | 851.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | IC50 | = | 83.18 | nM | 7.08 | Binding affinity for 5-hydroxytryptamine 1A receptor | 8642566 |
| Serotonin 3 (5-HT3) receptor | IC50 | = | 199.53 | nM | 6.7 | Binding affinity towards 5-hydroxytryptamine 3 receptor | 8642566 |
| 5-hydroxytryptamine receptor 1B | IC50 | = | 645.65 | nM | 6.19 | Binding affinity for 5-hydroxytryptamine 1B receptor | 8642566 |
| 5-hydroxytryptamine receptor 2C | IC50 | = | 707.95 | nM | 6.15 | Binding affinity towards 5-hydroxytryptamine 2C receptor | 8642566 |
| 5-hydroxytryptamine receptor 2A | IC50 | = | 851.14 | nM | 6.07 | Binding affinity towards 5-hydroxytryptamine 2A 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