Compound Detail
CHEMBL1162116
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Basic Information
| ChEMBL ID | CHEMBL1162116 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MAGHIFWNWZHPQG-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
217.2
MW (Da)
1.26
ALogP
5
HBA
0
HBD
53.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 8.44 | 8.44 | 3.6 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | Ki | 8.21 | 8.21 | 6.2 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 7.04 | 7.04 | 91.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | Ki | = | 3.631 | nM | 8.44 | Binding affinity to human cloned muscarinic M2 receptor expressed in CHO cells | 18182302 |
| Muscarinic acetylcholine receptor M5 | Ki | = | 6.166 | nM | 8.21 | Binding affinity to human cloned muscarinic M5 receptor expressed in CHO cells | 18182302 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 91.2 | nM | 7.04 | Binding affinity to human cloned muscarinic M1 receptor expressed in CHO cells | 18182302 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18182302 | 10.1016/j.bmc.2007.12.036 | Muscarinic acetylcholine receptor M1 | 1 |
| 18182302 | 10.1016/j.bmc.2007.12.036 | Muscarinic acetylcholine receptor M2 | 1 |
| 18182302 | 10.1016/j.bmc.2007.12.036 | Muscarinic acetylcholine receptor M5 | 1 |
Data from ChEMBL 36 via Core Engine