Compound Detail
CHEMBL2441748
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Basic Information
| ChEMBL ID | CHEMBL2441748 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SYTFEYDNYKQRMV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
175.2
MW (Da)
0.39
ALogP
2
HBA
0
HBD
29.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907589 | Ki | 7.7 | 7.7 | 20.0 | 1 |
| Muscarinic acetylcholine receptor CHEMBL2094109 | Ki | 5.92 | 5.92 | 1200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 20.0 | nM | 7.7 | Binding affinity to alpha4beta2 nAChR (unknown origin) | 24128660 |
| Muscarinic acetylcholine receptor | Ki | = | 1200.0 | nM | 5.92 | Binding affinity to muscarinic M1/M5 receptor (unknown origin) | 24128660 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24128660 | 10.1016/j.bmcl.2013.09.023 | Muscarinic acetylcholine receptor | 1 |
| 24128660 | 10.1016/j.bmcl.2013.09.023 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
| 24128660 | 10.1016/j.bmcl.2013.09.023 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
Data from ChEMBL 36 via Core Engine