Compound Detail
CHEMBL227429
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Basic Information
| ChEMBL ID | CHEMBL227429 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KUBKWLQZGDWVNE-OZZZDHQUSA-M |
| Parent Compound | CHEMBL1182277 |
| Active Moiety | CHEMBL1182277 |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
174.3
MW (Da)
0.50
ALogP
2
HBA
0
HBD
18.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 5.28 | 5.28 | 5248.1 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 4.63 | 4.63 | 23442.3 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | Ki | 4.52 | 4.52 | 30199.5 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 4.34 | 4.34 | 45708.8 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 4.13 | 4.13 | 74131.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | Ki | = | 5248.07 | nM | 5.28 | Displacement of [3H]NMS from human cloned muscarinic M2 receptor expressed in CH... | 18077164 |
| Muscarinic acetylcholine receptor M3 | Ki | = | 23442.29 | nM | 4.63 | Displacement of [3H]NMS from human cloned muscarinic M3 receptor expressed in CH... | 18077164 |
| Muscarinic acetylcholine receptor M5 | Ki | = | 30199.52 | nM | 4.52 | Displacement of [3H]NMS from human cloned muscarinic M5 receptor expressed in CH... | 18077164 |
| Muscarinic acetylcholine receptor M4 | Ki | = | 45708.82 | nM | 4.34 | Displacement of [3H]NMS from human cloned muscarinic M4 receptor expressed in CH... | 18077164 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 74131.02 | nM | 4.13 | Displacement of [3H]NMS from human cloned muscarinic M1 receptor expressed in CH... | 18077164 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18077164 | 10.1016/j.bmcl.2007.11.073 | Unchecked | 5 |
| 17084634 | 10.1016/j.bmc.2006.10.040 | Muscarinic acetylcholine receptor M3 | 3 |
| 18077164 | 10.1016/j.bmcl.2007.11.073 | Muscarinic acetylcholine receptor M3 | 3 |
| 17084634 | 10.1016/j.bmc.2006.10.040 | Muscarinic acetylcholine receptor M2 | 2 |
| 17084634 | 10.1016/j.bmc.2006.10.040 | Muscarinic acetylcholine receptor M1 | 2 |
| 17084634 | 10.1016/j.bmc.2006.10.040 | Muscarinic acetylcholine receptor M4 | 1 |
| 18077164 | 10.1016/j.bmcl.2007.11.073 | Muscarinic acetylcholine receptor M1 | 1 |
| 18077164 | 10.1016/j.bmcl.2007.11.073 | Muscarinic acetylcholine receptor M2 | 1 |
| 18077164 | 10.1016/j.bmcl.2007.11.073 | Muscarinic acetylcholine receptor M4 | 1 |
| 18077164 | 10.1016/j.bmcl.2007.11.073 | Muscarinic acetylcholine receptor M5 | 1 |
Data from ChEMBL 36 via Core Engine