Compound Detail
CHEMBL5078731
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Basic Information
| ChEMBL ID | CHEMBL5078731 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SJJZDXFWNBMUPH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
258.4
MW (Da)
2.86
ALogP
3
HBA
1
HBD
28.4
PSA (Ų)
0.89
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | IC50 | 9.92 | 9.92 | 0.1 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | IC50 | = | 0.12 | nM | 9.92 | Modulation of human 5HT2C expressed in HEK293T cells co-transfected with Galphaq... | 34917242 |
| 5-hydroxytryptamine receptor 2A | IC50 | = | 28.0 | nM | 7.55 | Modulation of human 5HT2A expressed in HEK293T cells co-transfected with Galphaq... | 34917242 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34917242 | 10.1021/acsmedchemlett.1c00578 | 5-hydroxytryptamine receptor 2A | 2 |
| 34917242 | 10.1021/acsmedchemlett.1c00578 | 5-hydroxytryptamine receptor 2C | 2 |
| 34917242 | 10.1021/acsmedchemlett.1c00578 | 5-hydroxytryptamine receptor 2B | 1 |
Data from ChEMBL 36 via Core Engine