Compound Detail
CHEMBL501295
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Basic Information
| ChEMBL ID | CHEMBL501295 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CSPMIMZHBXUYLQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
302.4
MW (Da)
4.83
ALogP
1
HBA
2
HBD
27.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 8.74 | 8.74 | 1.8 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | Ki | 7.75 | 7.75 | 18.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 1.8 | nM | 8.74 | Displacement of [3H]ketanserin from human 5-hydroxytryptamine 2A receptor expres... | 11133072 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | Ki | = | 18.0 | nM | 7.75 | Inhibition of human ERG channel | 19534531 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11133072 | 10.1016/s0960-894x(00)00559-x | 5-hydroxytryptamine receptor 2A | 1 |
| 11133072 | 10.1016/s0960-894x(00)00559-x | Serotonin 2 receptors; 5-HT2a & 5-HT2c | 1 |
| 11133072 | 10.1016/s0960-894x(00)00559-x | Dopamine D2 receptor and serotonin 2a receptor | 1 |
| 19534531 | 10.1021/jm900002x | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine