Compound Detail
CHEMBL257547
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Basic Information
| ChEMBL ID | CHEMBL257547 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FJJZUKMINKWTNH-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1182637 |
| Active Moiety | CHEMBL1182637 |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
401.6
MW (Da)
4.67
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | Ki | 5.16 | 5.16 | 6918.3 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 5.12 | 5.12 | 7585.8 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 4.76 | 4.76 | 17378.0 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 4.64 | 4.64 | 22908.7 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 4.59 | 4.59 | 25704.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M5 | Ki | = | 6918.31 | nM | 5.16 | Displacement of [3H]N-methylscopolamine from human muscarinic M5 receptor expres... | 18395442 |
| Muscarinic acetylcholine receptor M3 | Ki | = | 7585.78 | nM | 5.12 | Displacement of [3H]N-methylscopolamine from human muscarinic M3 receptor expres... | 18395442 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 17378.01 | nM | 4.76 | Displacement of [3H]N-methylscopolamine from human muscarinic M1 receptor expres... | 18395442 |
| Muscarinic acetylcholine receptor M4 | Ki | = | 22908.68 | nM | 4.64 | Displacement of [3H]N-methylscopolamine from human muscarinic M4 receptor expres... | 18395442 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 25703.96 | nM | 4.59 | Displacement of [3H]N-methylscopolamine from human muscarinic M2 receptor expres... | 18395442 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18395442 | 10.1016/j.bmcl.2008.03.061 | Muscarinic acetylcholine receptor M1 | 1 |
| 18395442 | 10.1016/j.bmcl.2008.03.061 | Muscarinic acetylcholine receptor M2 | 1 |
| 18395442 | 10.1016/j.bmcl.2008.03.061 | Muscarinic acetylcholine receptor M3 | 1 |
| 18395442 | 10.1016/j.bmcl.2008.03.061 | Muscarinic acetylcholine receptor M4 | 1 |
| 18395442 | 10.1016/j.bmcl.2008.03.061 | Muscarinic acetylcholine receptor M5 | 1 |
Data from ChEMBL 36 via Core Engine