Compound Detail
CHEMBL2336057
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Basic Information
| ChEMBL ID | CHEMBL2336057 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UNDGBOSCPSZNOO-KRWDZBQOSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
387.5
MW (Da)
1.63
ALogP
5
HBA
1
HBD
73.3
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.5
IC50 1 meas. best 5.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | EC50 | 6.5 | 6.5 | 320.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.41 | 5.41 | 3900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M4 | EC50 | = | 320.0 | nM | 6.5 | Partial agonist activity at human M4 receptor co-expressed with Galpha16 in CHO ... | 24900656 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 3900.0 | nM | 5.41 | Inhibition of human ERG assessed as decrease in tail current amplitude measured ... | 24900656 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900656 | 10.1021/ml300372f | Muscarinic acetylcholine receptor M4 | 2 |
| 24900656 | 10.1021/ml300372f | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 24900656 | 10.1021/ml300372f | Muscarinic acetylcholine receptor M5 | 1 |
| 24900656 | 10.1021/ml300372f | Muscarinic acetylcholine receptor M3 | 1 |
| 24900656 | 10.1021/ml300372f | Muscarinic acetylcholine receptor M2 | 1 |
| 24900656 | 10.1021/ml300372f | Muscarinic acetylcholine receptor M1 | 1 |
Data from ChEMBL 36 via Core Engine