Compound Detail
CHEMBL179244
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Basic Information
| ChEMBL ID | CHEMBL179244 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BNEIDDXVFTVOOR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
346.3
MW (Da)
4.28
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.90
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | EC50 | 7.66 | 7.66 | 22.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | EC50 | 7.25 | 7.25 | 56.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | EC50 | = | 22.0 | nM | 7.66 | Effective concentration towards 5-hydroxytryptamine 2A receptors transfected in ... | 15713408 |
| 5-hydroxytryptamine receptor 2C | EC50 | = | 56.0 | nM | 7.25 | Effective concentration towards 5-hydroxytryptamine 2C receptors transfected in ... | 15713408 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15713408 | 10.1016/j.bmcl.2004.12.080 | 5-hydroxytryptamine receptor 2C | 1 |
| 15713408 | 10.1016/j.bmcl.2004.12.080 | 5-hydroxytryptamine receptor 2A | 1 |
| 15713408 | 10.1016/j.bmcl.2004.12.080 | 5-hydroxytryptamine receptor 2B | 1 |
Data from ChEMBL 36 via Core Engine