Compound Detail
CHEMBL2337102
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Basic Information
| ChEMBL ID | CHEMBL2337102 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YLYUXVJVGYRALA-ICSRJNTNSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
388.4
MW (Da)
4.59
ALogP
3
HBA
1
HBD
24.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.85
EC50 1 meas. best 6.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 7.85 | 7.85 | 14.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | EC50 | 6.78 | 6.78 | 168.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 5.89 | 5.89 | 1280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B | Ki | = | 14.0 | nM | 7.85 | Agonist activity at 5-HT2B receptor (unknown origin) | 23177783 |
| 5-hydroxytryptamine receptor 2C | EC50 | = | 168.0 | nM | 6.78 | Agonist activity at 5-HT2C receptor (unknown origin) | 23177783 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 1280.0 | nM | 5.89 | Agonist activity at 5-HT2A receptor (unknown origin) | 23177783 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23177783 | 10.1016/j.bmcl.2012.10.091 | Serotonin 2 receptors; 5-HT2a & 5-HT2c | 1 |
| 23177783 | 10.1016/j.bmcl.2012.10.091 | Unchecked | 1 |
| 23177783 | 10.1016/j.bmcl.2012.10.091 | 5-hydroxytryptamine receptor 2A | 1 |
| 23177783 | 10.1016/j.bmcl.2012.10.091 | 5-hydroxytryptamine receptor 2B | 1 |
| 23177783 | 10.1016/j.bmcl.2012.10.091 | 5-hydroxytryptamine receptor 2C | 1 |
Data from ChEMBL 36 via Core Engine