Compound Detail
CHEMBL4863873
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Basic Information
| ChEMBL ID | CHEMBL4863873 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SNSIQWWUXFSTGO-CYBMUJFWSA-N |
2
Targets
2
Activities
2
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
341.8
MW (Da)
5.47
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.73
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.11
Ki 1 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma intracellular receptor 2 CHEMBL4105907 | Ki | 7.3 | 7.3 | 50.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | EC50 | 6.11 | 6.11 | 780.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.45 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma intracellular receptor 2 | Ki | = | 50.0 | nM | 7.3 | Binding affinity to Sigma 2-receptor (unknown origin) | 34531947 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | EC50 | = | 780.0 | nM | 6.11 | Inhibition of human ERG expressed in CHO cells measured by Patch-clamp assay | 34531947 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34531947 | 10.1021/acsmedchemlett.1c00048 | ADMET | 2 |
| 34531947 | 10.1021/acsmedchemlett.1c00048 | N2a | 1 |
| 34531947 | 10.1021/acsmedchemlett.1c00048 | Sigma intracellular receptor 2 | 1 |
| 34531947 | 10.1021/acsmedchemlett.1c00048 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine