Compound Detail
CHEMBL1302442
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Basic Information
| ChEMBL ID | CHEMBL1302442 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMIORGRBGIZEFG-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
383.9
MW (Da)
3.03
ALogP
6
HBA
2
HBD
80.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.42
EC50 1 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | EC50 | 6.26 | 6.26 | 550.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.42 | 4.965 | 3850.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 | EC50 | = | 550.0 | nM | 6.26 | PUBCHEM_BIOASSAY: Confirmation Dose Response screen for compounds that protect h... | - |
| Unchecked | IC50 | = | 3850.0 | nM | 5.42 | PUBCHEM_BIOASSAY: Dose Response selectivity of uHTS chemical inhibitors of B-cel... | - |
| Unchecked | IC50 | = | 30600.0 | nM | 4.51 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS of chemical inhibitors of B... | - |
Data from ChEMBL 36 via Core Engine