Compound Detail
CHEMBL2331793
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Basic Information
| ChEMBL ID | CHEMBL2331793 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CBAZYOHUXOJCOD-UHFFFAOYSA-N |
2
Targets
8
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
182.2
MW (Da)
0.76
ALogP
4
HBA
1
HBD
47.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.53
Ki 4 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | EC50 | 5.53 | 5.525 | 2951.2 | 2 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | EC50 | 5.1 | 5.1 | 7900.0 | 2 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 4.0 | 4.0 | 100000.0 | 2 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 4.0 | 4.0 | 100000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23301527 | 10.1021/jm301656h | 5-hydroxytryptamine receptor 2C | 5 |
| 23301527 | 10.1021/jm301656h | 5-hydroxytryptamine receptor 2A | 5 |
Data from ChEMBL 36 via Core Engine