Compound Detail
CHEMBL3318989
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Basic Information
| ChEMBL ID | CHEMBL3318989 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JUXSXKBJRLWGAK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
437.9
MW (Da)
3.81
ALogP
6
HBA
1
HBD
76.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 6.0 | 6.0 | 1000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of human ERG by electrophysiology assay | 25050172 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of human ERG by IonWorks assay | 26191359 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25050172 | 10.1021/ml5001728 | Mycobacterium tuberculosis | 1 |
| 25050172 | 10.1021/ml5001728 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 25050172 | 10.1021/ml5001728 | No relevant target | 1 |
| 26191359 | 10.1021/ml500531p | Mycobacterium tuberculosis | 1 |
| 26191359 | 10.1021/ml500531p | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine