Compound Detail
CHEMBL5204813
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Basic Information
| ChEMBL ID | CHEMBL5204813 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WQTVQOIRXFVOPO-NRFANRHFSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
431.5
MW (Da)
5.04
ALogP
5
HBA
0
HBD
40.2
PSA (Ų)
0.55
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.86
Ki 3 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 8.4 | 8.4 | 4.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 7.66 | 7.66 | 22.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 7.32 | 7.32 | 48.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | IC50 | 6.86 | 6.86 | 137.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | IC50 | 6.79 | 6.79 | 161.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | IC50 | 5.91 | 5.91 | 1227.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | Ki | = | 4.0 | nM | 8.4 | Displacement of [3H]Mesulergine from 5-HT2C receptor (unknown origin) assessed a... | 36001775 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 22.0 | nM | 7.66 | Displacement of [3H]Ketanserin from 5-HT2A receptor (unknown origin) assessed as... | 36001775 |
| 5-hydroxytryptamine receptor 2B | Ki | = | 48.0 | nM | 7.32 | Displacement of [3H]LSD from 5-HT2B receptor (unknown origin) assessed as inhibi... | 36001775 |
| 5-hydroxytryptamine receptor 2A | IC50 | = | 137.0 | nM | 6.86 | Antagonist activity at 5-HT2A receptor (unknown origin) incubated for 60 mins fo... | 36001775 |
| 5-hydroxytryptamine receptor 2C | IC50 | = | 161.0 | nM | 6.79 | Antagonist activity at 5-HT2C receptor (unknown origin) incubated for 60 mins fo... | 36001775 |
| 5-hydroxytryptamine receptor 2B | IC50 | = | 1227.0 | nM | 5.91 | Antagonist activity at 5-HT2B receptor (unknown origin) incubated for 60 mins fo... | 36001775 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36001775 | 10.1021/acs.jnatprod.2c00365 | 5-hydroxytryptamine receptor 2A | 3 |
| 36001775 | 10.1021/acs.jnatprod.2c00365 | 5-hydroxytryptamine receptor 2B | 3 |
| 36001775 | 10.1021/acs.jnatprod.2c00365 | 5-hydroxytryptamine receptor 2C | 3 |
| 36001775 | 10.1021/acs.jnatprod.2c00365 | Unchecked | 2 |
| 36001775 | 10.1021/acs.jnatprod.2c00365 | Serotonin 2 receptors; 5-HT2a & 5-HT2c | 1 |
Data from ChEMBL 36 via Core Engine