Compound Detail
CHEMBL210230
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Basic Information
| ChEMBL ID | CHEMBL210230 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MYAIOSJLOIUJFU-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
347.4
MW (Da)
4.59
ALogP
1
HBA
0
HBD
20.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 8.41 | 8.41 | 3.9 | 2 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 7.0 | 6.98 | 100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 3.9 | nM | 8.41 | Binding affinity to human 5HT2A | 16632354 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 3.9 | nM | 8.41 | Displacement of [3H]- ketanserin from human 5HT2A receptor expressed CHO cells | 20493697 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 100.0 | nM | 7.0 | Displacement of [3H]mesulergine from human 5HT2C receptor expressed CHO cells | 20493697 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 110.0 | nM | 6.96 | Binding affinity to human 5HT2C | 16632354 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20493697 | 10.1016/j.bmcl.2010.04.090 | Rattus norvegicus | 2 |
| 16632354 | 10.1016/j.bmcl.2006.03.050 | 5-hydroxytryptamine receptor 2A | 1 |
| 16632354 | 10.1016/j.bmcl.2006.03.050 | 5-hydroxytryptamine receptor 2C | 1 |
| 16632354 | 10.1016/j.bmcl.2006.03.050 | Serotonin 2 receptors; 5-HT2a & 5-HT2c | 1 |
| 16632354 | 10.1016/j.bmcl.2006.03.050 | D(2) dopamine receptor | 1 |
| 16632354 | 10.1016/j.bmcl.2006.03.050 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 20493697 | 10.1016/j.bmcl.2010.04.090 | 5-hydroxytryptamine receptor 2A | 1 |
| 20493697 | 10.1016/j.bmcl.2010.04.090 | Serotonin 2 receptors; 5-HT2a & 5-HT2c | 1 |
| 20493697 | 10.1016/j.bmcl.2010.04.090 | Liver microsomes | 1 |
| 20493697 | 10.1016/j.bmcl.2010.04.090 | 5-hydroxytryptamine receptor 2C | 1 |
| 20493697 | 10.1016/j.bmcl.2010.04.090 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine