Compound Detail
CHEMBL4067663
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Basic Information
| ChEMBL ID | CHEMBL4067663 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RGZDIZCMNGDABB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
506.6
MW (Da)
4.19
ALogP
8
HBA
1
HBD
76.0
PSA (Ų)
0.48
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.3 | 5.3 | 4960.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 4960.0 | nM | 5.3 | Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by... | 29381358 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29381358 | 10.1021/acs.jmedchem.7b01914 | Hepatitis B virus | 1 |
| 29381358 | 10.1021/acs.jmedchem.7b01914 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 28082068 | 10.1016/j.bmc.2016.12.017 | Core antigen | 1 |
Data from ChEMBL 36 via Core Engine