Compound Detail
CHEMBL383530
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Basic Information
| ChEMBL ID | CHEMBL383530 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GDWBWUCRKAYOMD-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
383.4
MW (Da)
4.14
ALogP
2
HBA
0
HBD
37.4
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.85
IC50 1 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 7.85 | 7.85 | 14.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | IC50 | 6.5 | 6.5 | 319.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 6.0 | 6.0 | 997.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 14.0 | nM | 7.85 | Binding affinity to human 5HT2A | 16632354 |
| 5-hydroxytryptamine receptor 2A | IC50 | = | 319.0 | nM | 6.5 | Antagonist activity against human 5HT2A transfected in CHO cells by aurora beta ... | 16632354 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 997.0 | nM | 6.0 | Binding affinity to human 5HT2C | 16632354 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16632354 | 10.1016/j.bmcl.2006.03.050 | 5-hydroxytryptamine receptor 2A | 3 |
| 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 |
Data from ChEMBL 36 via Core Engine