Compound Detail
CHEMBL318403
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Basic Information
| ChEMBL ID | CHEMBL318403 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YPIJABWYOZAYLQ-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
331.5
MW (Da)
3.98
ALogP
5
HBA
0
HBD
29.0
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.89
Ki 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | Ki | 9.0 | 9.0 | 1.0 | 1 |
| Muscarinic acetylcholine receptor CHEMBL1907609 | IC50 | 8.89 | 8.89 | 1.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | Ki | = | 1.0 | nM | 9.0 | Binding affinity against Muscarinic acetylcholine receptors using [3H]oxotremori... | 9046345 |
| Muscarinic acetylcholine receptor | IC50 | = | 1.3 | nM | 8.89 | Binding affinity against muscarinic receptor in rat brain membranes using oxotre... | 9873644 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9046345 | 10.1021/jm9602470 | Mustela putorius furo | 2 |
| 9873644 | 10.1016/s0960-894x(98)00509-5 | Muscarinic acetylcholine receptor | 1 |
| 9873644 | 10.1016/s0960-894x(98)00509-5 | Muscarinic acetylcholine receptor M1 | 1 |
| 9046345 | 10.1021/jm9602470 | Muscarinic acetylcholine receptor | 1 |
| 9046345 | 10.1021/jm9602470 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine