Compound Detail
CHEMBL501117
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Basic Information
| ChEMBL ID | CHEMBL501117 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MCWUEFGUKMGICK-JXLXBRSFSA-N |
| Parent Compound | CHEMBL1187377 |
| Active Moiety | CHEMBL1187377 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
163.2
MW (Da)
1.45
ALogP
2
HBA
2
HBD
46.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | EC50 | 6.79 | 6.79 | 161.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | EC50 | 6.31 | 6.31 | 492.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | EC50 | 6.29 | 6.29 | 513.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | EC50 | = | 161.0 | nM | 6.79 | Agonist activity at human 5HT2C receptor expressed in HEK293 cells assessed as c... | 19284718 |
| 5-hydroxytryptamine receptor 2B | EC50 | = | 492.0 | nM | 6.31 | Agonist activity at human 5HT2B receptor expressed in HEK293 cells assessed as c... | 19284718 |
| 5-hydroxytryptamine receptor 2A | EC50 | = | 513.0 | nM | 6.29 | Agonist activity at human 5HT2A receptor expressed in HEK293 cells assessed as c... | 19284718 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19284718 | 10.1021/jm801354e | 5-hydroxytryptamine receptor 2A | 2 |
| 19284718 | 10.1021/jm801354e | 5-hydroxytryptamine receptor 2B | 2 |
| 19284718 | 10.1021/jm801354e | 5-hydroxytryptamine receptor 2C | 2 |
| 19284718 | 10.1021/jm801354e | Serotonin 2 receptors; 5-HT2a & 5-HT2c | 1 |
| 19284718 | 10.1021/jm801354e | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine