Compound Detail
CHEMBL5517969
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Basic Information
| ChEMBL ID | CHEMBL5517969 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GWAKJYASECCTBF-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
295.4
MW (Da)
3.67
ALogP
4
HBA
1
HBD
30.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | EC50 | 6.8 | 6.67 | 160.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | EC50 | = | 160.0 | nM | 6.8 | Agonist activity at human 5-HT2AR expressed in HEK293 cells incubated upto 90 se... | 38648420 |
| 5-hydroxytryptamine receptor 2A | EC50 | = | 290.0 | nM | 6.54 | Agonist activity at human 5-HT2AR expressed in HEK293 cells incubated upto 90 se... | 38648420 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38648420 | 10.1021/acs.jmedchem.4c00082 | 5-hydroxytryptamine receptor 2A | 4 |
| 38648420 | 10.1021/acs.jmedchem.4c00082 | 5-hydroxytryptamine receptor 2C | 3 |
| 38648420 | 10.1021/acs.jmedchem.4c00082 | Serotonin 2 receptors; 5-HT2a & 5-HT2c | 1 |
Data from ChEMBL 36 via Core Engine