Compound Detail
CHEMBL5527952
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Basic Information
| ChEMBL ID | CHEMBL5527952 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YFCASESLVDHSAW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
272.1
MW (Da)
2.15
ALogP
3
HBA
1
HBD
30.5
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | EC50 | 8.8 | 8.8 | 1.6 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | EC50 | 5.28 | 5.28 | 5200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | EC50 | = | 1.6 | nM | 8.8 | Agonist activity at human 5-HT2AR expressed in HEK293 cells incubated upto 90 se... | 38648420 |
| 5-hydroxytryptamine receptor 2C | EC50 | = | 5200.0 | nM | 5.28 | Agonist activity at human 5-HT2CR 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 | 2 |
| 38648420 | 10.1021/acs.jmedchem.4c00082 | 5-hydroxytryptamine receptor 2C | 2 |
Data from ChEMBL 36 via Core Engine