Compound Detail
CHEMBL3979641
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Basic Information
| ChEMBL ID | CHEMBL3979641 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | APYUZVKHUKMAIJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
388.4
MW (Da)
3.90
ALogP
8
HBA
3
HBD
100.5
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH3 CHEMBL2363017 | IC50 | 7.11 | 7.11 | 77.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH3 | IC50 | = | 77.0 | nM | 7.11 | Inhibition of KCl-stimulated BEC1 (unknown origin) expressed in dihydrofolate re... | - |
Data from ChEMBL 36 via Core Engine