Compound Detail
CHEMBL3968881
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Basic Information
| ChEMBL ID | CHEMBL3968881 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RCBFOXVSFKMIRG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
418.4
MW (Da)
4.40
ALogP
7
HBA
1
HBD
95.2
PSA (Ų)
0.38
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium voltage-gated channel subfamily A member 5 CHEMBL4306 | IC50 | 5.69 | 5.69 | 2040.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.39 | 5.39 | 4100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Potassium voltage-gated channel subfamily A member 5 | IC50 | = | 2040.0 | nM | 5.69 | Inhibition of human Kv1.5 expressed in HEK293 cells by whole cell patch clamp me... | - |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 4100.0 | nM | 5.39 | Inhibition of human ERG expressed in HEK293 cells assessed as decrease in tail c... | - |
Data from ChEMBL 36 via Core Engine