Compound Detail
CHEMBL4776009
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Basic Information
| ChEMBL ID | CHEMBL4776009 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GGFXWOWAGOHCHZ-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
425.4
MW (Da)
3.56
ALogP
5
HBA
0
HBD
50.6
PSA (Ų)
0.64
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.39
Ki 1 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 8.05 | 8.05 | 9.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.39 | 5.39 | 4084.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 9.0 | nM | 8.05 | Displacement of [3H]-(+)-pentazocine from human sigma1 receptor expressed in HEK... | 33237785 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 4084.0 | nM | 5.39 | Inhibition of human ERG expressed in CHO cells by patch clamp assay | 33237785 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33237785 | 10.1021/acs.jmedchem.0c01575 | Unchecked | 2 |
| 33237785 | 10.1021/acs.jmedchem.0c01575 | Sigma non-opioid intracellular receptor 1 | 1 |
| 33237785 | 10.1021/acs.jmedchem.0c01575 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine