Compound Detail
CHEMBL227378
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Basic Information
| ChEMBL ID | CHEMBL227378 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KUBKWLQZGDWVNE-RJUBDTSPSA-M |
| Parent Compound | CHEMBL1182272 |
| Active Moiety | CHEMBL1182272 |
4
Targets
8
Activities
2
Assay Types
0
PK Parameters
11
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
EC50 4 meas. best 4.6
Ki 4 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 5.16 | 5.16 | 6918.3 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | EC50 | 4.6 | 4.6 | 25118.9 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 4.44 | 4.44 | 36307.8 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | Ki | 4.35 | 4.35 | 44668.4 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | EC50 | 4.3 | 4.3 | 50118.7 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 4.16 | 4.16 | 69183.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | Ki | = | 6918.31 | nM | 5.16 | Displacement of [3H]NMS from human cloned muscarinic M2 receptor expressed in CH... | 18077164 |
| Muscarinic acetylcholine receptor M4 | EC50 | = | 25118.86 | nM | 4.6 | Agonist activity at human muscarinic M4 receptor expressed in CHO cells | 17084634 |
| Muscarinic acetylcholine receptor M3 | Ki | = | 36307.81 | nM | 4.44 | Displacement of [3H]NMS from human cloned muscarinic M3 receptor expressed in CH... | 18077164 |
| Muscarinic acetylcholine receptor M5 | Ki | = | 44668.36 | nM | 4.35 | Displacement of [3H]NMS from human cloned muscarinic M5 receptor expressed in CH... | 18077164 |
| Muscarinic acetylcholine receptor M3 | EC50 | = | 50118.72 | nM | 4.3 | Agonist activity at human muscarinic M3 receptor expressed in CHO cells | 17084634 |
| Muscarinic acetylcholine receptor M4 | Ki | = | 69183.1 | nM | 4.16 | Displacement of [3H]NMS from human cloned muscarinic M4 receptor expressed in CH... | 18077164 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17084634 | 10.1016/j.bmc.2006.10.040 | Muscarinic acetylcholine receptor M3 | 5 |
| 18077164 | 10.1016/j.bmcl.2007.11.073 | Unchecked | 5 |
| 17084634 | 10.1016/j.bmc.2006.10.040 | Muscarinic acetylcholine receptor M2 | 4 |
| 17084634 | 10.1016/j.bmc.2006.10.040 | Muscarinic acetylcholine receptor M4 | 3 |
| 17084634 | 10.1016/j.bmc.2006.10.040 | Muscarinic acetylcholine receptor M1 | 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 M5 | 2 |
| 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