Compound Detail
CHEMBL169594
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Basic Information
| ChEMBL ID | CHEMBL169594 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SIOXJKJAYRUERS-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
2.74
ALogP
4
HBA
0
HBD
42.4
PSA (Ų)
0.77
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 5.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 5.45 | 5.45 | 3548.1 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 5.22 | 5.22 | 6025.6 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 5.09 | 5.09 | 8128.3 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | Ki | 4.95 | 4.95 | 11220.2 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 4.88 | 4.88 | 13182.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | Ki | = | 3548.13 | nM | 5.45 | Binding affinity towards cloned human muscarinic acetylcholine receptor M1 stabl... | 12593665 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 6025.6 | nM | 5.22 | Binding affinity towards cloned human muscarinic acetylcholine receptor M2 stabl... | 12593665 |
| Muscarinic acetylcholine receptor M3 | Ki | = | 8128.31 | nM | 5.09 | Binding affinity towards cloned human muscarinic acetylcholine receptor M3 stabl... | 12593665 |
| Muscarinic acetylcholine receptor M5 | Ki | = | 11220.18 | nM | 4.95 | Binding affinity towards cloned human muscarinic acetylcholine receptor M5 stabl... | 12593665 |
| Muscarinic acetylcholine receptor M4 | Ki | = | 13182.57 | nM | 4.88 | Binding affinity towards cloned human muscarinic acetylcholine receptor M4 stabl... | 12593665 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12593665 | 10.1021/jm020895l | Muscarinic acetylcholine receptor M1 | 1 |
| 12593665 | 10.1021/jm020895l | Muscarinic acetylcholine receptor M2 | 1 |
| 12593665 | 10.1021/jm020895l | Muscarinic acetylcholine receptor M3 | 1 |
| 12593665 | 10.1021/jm020895l | Muscarinic acetylcholine receptor M4 | 1 |
| 12593665 | 10.1021/jm020895l | Muscarinic acetylcholine receptor M5 | 1 |
Data from ChEMBL 36 via Core Engine