Compound Detail
CHEMBL442206
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Basic Information
| ChEMBL ID | CHEMBL442206 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZLYDESMUNQSKFD-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
194.3
MW (Da)
0.42
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL309 | Ki | 6.58 | 5.505 | 260.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | Ki | = | 260.0 | nM | 6.58 | Binding affinity at [3H]CD radiolabeled muscarinic M2 receptor in rat cortex. | 8246221 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 1300.0 | nM | 5.89 | Binding affinity at [3H]QNB radiolabeled muscarinic M2 receptor in rat heart. | 8246221 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 13000.0 | nM | 4.89 | Binding affinity at [3H]QNB and GppNHp radiolabeled muscarinic M2 receptor in ra... | 8246221 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 22000.0 | nM | 4.66 | Binding affinity at [3H]QNB radiolabeled muscarinic M2 receptor in rat cortex. | 8246221 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8246221 | 10.1021/jm00075a007 | Muscarinic acetylcholine receptor M2 | 5 |
| 8246221 | 10.1021/jm00075a007 | Muscarinic receptor M1 and M2 | 3 |
| 8246221 | 10.1021/jm00075a007 | Muscarinic acetylcholine receptor M1 | 1 |
Data from ChEMBL 36 via Core Engine