Compound Detail
CHEMBL5836417
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Basic Information
| ChEMBL ID | CHEMBL5836417 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VXWNWYXXDJFKLS-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
417.5
MW (Da)
3.55
ALogP
5
HBA
1
HBD
69.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.4
IC50 1 meas. best 5.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 9.4 | 9.4 | 0.4 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 8.8 | 8.8 | 1.6 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.27 | 5.27 | 5400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 0.4 | nM | 9.4 | Binding Activity Assay: Human 5-HT2A Receptor, Human 5-HT7 Receptor, and Human D... | - |
| 5-hydroxytryptamine receptor 7 | Ki | = | 1.6 | nM | 8.8 | Binding Activity Assay: Human 5-HT2A Receptor, Human 5-HT7 Receptor, and Human D... | - |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 5400.0 | nM | 5.27 | Inhibitory Activity for hERG Channel: Extracellular and intracellular fluids use... | - |
Data from ChEMBL 36 via Core Engine