Compound Detail
CHEMBL3290346
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Basic Information
| ChEMBL ID | CHEMBL3290346 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LTEIHSGLROBHGJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
433.5
MW (Da)
1.63
ALogP
9
HBA
1
HBD
109.0
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 4.16 | 4.16 | 69000.0 | 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 | = | 69000.0 | nM | 4.16 | Inhibition of human ERG by patch clamp electrophysiological analysis | 24809953 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24809953 | 10.1021/jm500432n | Caco-2 | 2 |
| 24809953 | 10.1021/jm500432n | Mycobacterium tuberculosis | 1 |
| 24809953 | 10.1021/jm500432n | No relevant target | 1 |
| 24809953 | 10.1021/jm500432n | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine