Compound Detail
CHEMBL122860
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Basic Information
| ChEMBL ID | CHEMBL122860 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JLWIAKOXJGKMDU-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
244.3
MW (Da)
2.60
ALogP
2
HBA
1
HBD
28.3
PSA (Ų)
0.90
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | IC50 | 6.04 | 5.635 | 920.0 | 2 |
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor | IC50 | = | 920.0 | nM | 6.04 | Compound was evaluated for binding affinity towards 5-hydroxytryptamine 2 recept... | 1433172 |
| 5-hydroxytryptamine receptor 1A | IC50 | = | 1200.0 | nM | 5.92 | Compound was evaluated for binding affinity towards 5-hydroxytryptamine 1A recep... | 1433172 |
| 5-hydroxytryptamine receptor 1D | IC50 | = | 1200.0 | nM | 5.92 | Compound was evaluated for binding affinity towards 5-hydroxytryptamine 1D recep... | 1433172 |
| 5-hydroxytryptamine receptor 2C | IC50 | = | 2500.0 | nM | 5.6 | Compound was evaluated for binding affinity towards 5-hydroxytryptamine 1C recep... | 1433172 |
| Serotonin 2 (5-HT2) receptor | IC50 | = | 5900.0 | nM | 5.23 | Compound was evaluated for binding affinity towards 5-hydroxytryptamine 2 recept... | 1433172 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1433172 | 10.1021/jm00098a005 | Serotonin 2 (5-HT2) receptor | 2 |
| 1433172 | 10.1021/jm00098a005 | 5-hydroxytryptamine receptor 1A | 1 |
| 1433172 | 10.1021/jm00098a005 | 5-hydroxytryptamine receptor 1D | 1 |
| 1433172 | 10.1021/jm00098a005 | 5-hydroxytryptamine receptor 2C | 1 |
Data from ChEMBL 36 via Core Engine