Compound Detail
CHEMBL5889007
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Basic Information
| ChEMBL ID | CHEMBL5889007 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YPTQUGODRIZPOA-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
362.4
MW (Da)
2.04
ALogP
5
HBA
1
HBD
61.6
PSA (Ų)
0.82
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.68
IC50 1 meas. best 5.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 8.68 | 8.68 | 2.1 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 8.03 | 8.03 | 9.3 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.13 | 5.13 | 7400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 2.1 | nM | 8.68 | Binding Activity Assay: Human 5-HT2A Receptor, Human 5-HT7 Receptor, and Human D... | - |
| 5-hydroxytryptamine receptor 7 | Ki | = | 9.3 | nM | 8.03 | Binding Activity Assay: Human 5-HT2A Receptor, Human 5-HT7 Receptor, and Human D... | - |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 7400.0 | nM | 5.13 | Inhibitory Activity for hERG Channel: Extracellular and intracellular fluids use... | - |
Data from ChEMBL 36 via Core Engine