Compound Detail
CHEMBL178365
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Basic Information
| ChEMBL ID | CHEMBL178365 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XTTZERNUQAFMOF-MRVPVSSYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
195.7
MW (Da)
2.59
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | EC50 | 7.8 | 7.8 | 15.8 | 2 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | EC50 | 6.6 | 6.59 | 251.2 | 2 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | EC50 | 5.9 | 5.875 | 1258.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | EC50 | = | 16.0 | nM | 7.8 | Effective concentration towards 5-hydroxytryptamine 2C receptors transfected in ... | 15713408 |
| 5-hydroxytryptamine receptor 2C | EC50 | = | 15.85 | nM | 7.8 | Agonist activity at human 5HT2C receptor expressed in HEK293 cells assessed as i... | 18095642 |
| 5-hydroxytryptamine receptor 2A | EC50 | = | 251.19 | nM | 6.6 | Agonist activity at human 5HT2A receptor expressed in HEK293 cells assessed as i... | 18095642 |
| 5-hydroxytryptamine receptor 2A | EC50 | = | 265.0 | nM | 6.58 | Effective concentration towards 5-hydroxytryptamine 2A receptors transfected in ... | 15713408 |
| 5-hydroxytryptamine receptor 2B | EC50 | = | 1258.93 | nM | 5.9 | Agonist activity at human 5HT2B receptor expressed in HEK293 cells assessed as i... | 18095642 |
| 5-hydroxytryptamine receptor 2B | EC50 | = | 1400.0 | nM | 5.85 | Effective concentration towards 5-hydroxytryptamine 2B receptors transfected in ... | 15713408 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18095642 | 10.1021/jm0709034 | Rattus norvegicus | 4 |
| 15713408 | 10.1016/j.bmcl.2004.12.080 | 5-hydroxytryptamine receptor 2C | 2 |
| 15713408 | 10.1016/j.bmcl.2004.12.080 | 5-hydroxytryptamine receptor 2A | 2 |
| 15713408 | 10.1016/j.bmcl.2004.12.080 | 5-hydroxytryptamine receptor 2B | 2 |
| 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 |
| 18095642 | 10.1021/jm0709034 | Serotonin 2 receptors; 5-HT2a & 5-HT2c | 1 |
| 18095642 | 10.1021/jm0709034 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine