Compound Detail
CHEMBL115648
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Basic Information
| ChEMBL ID | CHEMBL115648 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XUTVZEFLAKJGLE-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
277.4
MW (Da)
3.18
ALogP
4
HBA
0
HBD
29.0
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 9.4
Ki 1 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL276 | IC50 | 9.4 | 9.35 | 0.4 | 2 |
| Muscarinic acetylcholine receptor CHEMBL1907609 | Ki | 9.3 | 9.3 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | IC50 | = | 0.4 | nM | 9.4 | Binding activity against muscarinic acetylcholine receptor M1 in rat brain, usin... | 7658434 |
| Muscarinic acetylcholine receptor M1 | IC50 | = | 0.5 | nM | 9.3 | Binding activity against muscarinic acetylcholine receptor M1 in rat brain, usin... | 7658434 |
| Muscarinic acetylcholine receptor | Ki | = | 0.5 | nM | 9.3 | Binding affinity against Muscarinic acetylcholine receptors using [3H]oxotremori... | 9046345 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9046345 | 10.1021/jm9602470 | Mustela putorius furo | 2 |
| 7658434 | 10.1021/jm00018a007 | Muscarinic acetylcholine receptor M1 | 2 |
| 9046345 | 10.1021/jm9602470 | Muscarinic acetylcholine receptor | 1 |
| 9046345 | 10.1021/jm9602470 | Mus musculus | 1 |
| 7658434 | 10.1021/jm00018a007 | A9 | 1 |
| 7658434 | 10.1021/jm00018a007 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine