Compound Detail
CHEMBL2022939
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Basic Information
| ChEMBL ID | CHEMBL2022939 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZCHYBMZXJGWTPA-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
405.5
MW (Da)
4.28
ALogP
6
HBA
2
HBD
83.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.0
IC50 1 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL2492 | EC50 | 7.0 | 7.0 | 100.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 4.8 | 4.8 | 15848.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 | EC50 | = | 100.0 | nM | 7.0 | Agonist activity at human alpha7 nAChR expressed in GH4C1 cells by FLIPR assay | 22503248 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 15848.93 | nM | 4.8 | Displacement of [3H]Dofetilide from human ERG expressed in CHO-K1 cells by scint... | 22503248 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22503248 | 10.1016/j.bmcl.2012.03.040 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
| 22503248 | 10.1016/j.bmcl.2012.03.040 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine