Compound Detail
CHEMBL1472561
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Basic Information
| ChEMBL ID | CHEMBL1472561 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YAUZNKLMKRQDAM-UHFFFAOYSA-O |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
161.2
MW (Da)
0.05
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907589 | Ki | 7.64 | 7.64 | 23.0 | 1 |
| Muscarinic acetylcholine receptor CHEMBL2094109 | Ki | 6.82 | 6.82 | 150.0 | 1 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL2492 | Ki | 4.36 | 4.36 | 44000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 23.0 | nM | 7.64 | Binding affinity to alpha4beta2 nAChR (unknown origin) | 24128660 |
| Muscarinic acetylcholine receptor | Ki | = | 150.0 | nM | 6.82 | Binding affinity to muscarinic M1/M5 receptor (unknown origin) | 24128660 |
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 44000.0 | nM | 4.36 | Binding affinity to alpha7 nAChR (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