Compound Detail
CHEMBL178252
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Basic Information
| ChEMBL ID | CHEMBL178252 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TXVNTTRQUFIPMP-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
179.2
MW (Da)
2.07
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | EC50 | 6.4 | 6.395 | 398.1 | 2 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | EC50 | 5.8 | 5.8 | 1584.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | EC50 | = | 398.11 | nM | 6.4 | Agonist activity at human 5HT2C receptor expressed in HEK293 cells assessed as i... | 18095642 |
| 5-hydroxytryptamine receptor 2C | EC50 | = | 410.0 | nM | 6.39 | Effective concentration towards 5-hydroxytryptamine 2C receptors transfected in ... | 15713408 |
| 5-hydroxytryptamine receptor 2A | EC50 | = | 1600.0 | nM | 5.8 | Effective concentration towards 5-hydroxytryptamine 2A receptors transfected in ... | 15713408 |
| 5-hydroxytryptamine receptor 2A | EC50 | = | 1584.89 | nM | 5.8 | Agonist activity at human 5HT2A receptor expressed in HEK293 cells assessed as i... | 18095642 |
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 |
| 18095642 | 10.1021/jm0709034 | 5-hydroxytryptamine receptor 2C | 1 |
| 18095642 | 10.1021/jm0709034 | 5-hydroxytryptamine receptor 2A | 1 |
| 18095642 | 10.1021/jm0709034 | 5-hydroxytryptamine receptor 2B | 1 |
Data from ChEMBL 36 via Core Engine