Compound Detail
CHEMBL3958409
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Basic Information
| ChEMBL ID | CHEMBL3958409 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UADHCQYLQHRFLA-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
441.6
MW (Da)
3.27
ALogP
6
HBA
0
HBD
54.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.7
IC50 1 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ryanodine receptor 2 CHEMBL4403 | EC50 | 7.7 | 7.7 | 20.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.6 | 5.6 | 2496.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ryanodine receptor 2 | EC50 | = | 20.0 | nM | 7.7 | Induction of FKBP12.6 re-binding to PKA-phosphorylated-RyR2 (unknown origin) aft... | - |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 2496.0 | nM | 5.6 | Inhibition of human ERG expressed in HEK293 cells assessed as reduction in outwa... | - |
Data from ChEMBL 36 via Core Engine