Compound Detail
CHEMBL1991112
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Basic Information
| ChEMBL ID | CHEMBL1991112 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IRHSUEYPHSATNP-IZZDOVSWSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
289.2
MW (Da)
3.02
ALogP
3
HBA
1
HBD
24.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.52
IC50 1 meas. best 4.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | EC50 | 6.52 | 6.52 | 300.0 | 1 |
| HEK293 CHEMBL614818 | IC50 | 4.85 | 4.85 | 14159.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 | EC50 | = | 300.0 | nM | 6.52 | PUBCHEM_BIOASSAY: Confirmation Dose Response screen for compounds that protect h... | - |
| HEK293 | IC50 | = | 14159.0 | nM | 4.85 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
Data from ChEMBL 36 via Core Engine