Compound Detail
CHEMBL207850
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Basic Information
| ChEMBL ID | CHEMBL207850 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ARGKYIJYIOPUMA-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
384.4
MW (Da)
2.65
ALogP
3
HBA
0
HBD
40.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 8.36 | 8.36 | 4.4 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 5.42 | 5.42 | 3785.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | Ki | 5.31 | 5.31 | 4869.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 4.4 | nM | 8.36 | Binding affinity to human 5HT2A | 16632354 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 3785.0 | nM | 5.42 | Binding affinity to human 5HT2C | 16632354 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | Ki | = | 4869.0 | nM | 5.31 | Binding affinity to human IKr | 16632354 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
Data from ChEMBL 36 via Core Engine