Compound Detail
CHEMBL256923
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CN(CCCN(C)CCCC(O)(c1ccccc1)c1ccccc1)CCCC(O)(c1ccccc1)c1ccccc1.Cl.Cl
Basic Information
| ChEMBL ID | CHEMBL256923 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WKQSRKXBSJVAPZ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1182629 |
| Active Moiety | CHEMBL1182629 |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
550.8
MW (Da)
6.67
ALogP
4
HBA
2
HBD
46.9
PSA (Ų)
0.16
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 6.21 | 6.21 | 616.6 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | Ki | 6.08 | 6.08 | 831.8 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 5.87 | 5.87 | 1349.0 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 5.76 | 5.76 | 1737.8 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 5.26 | 5.26 | 5495.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M4 | Ki | = | 616.6 | nM | 6.21 | Displacement of [3H]N-methylscopolamine from human muscarinic M4 receptor expres... | 18395442 |
| Muscarinic acetylcholine receptor M5 | Ki | = | 831.76 | nM | 6.08 | Displacement of [3H]N-methylscopolamine from human muscarinic M5 receptor expres... | 18395442 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 1348.96 | nM | 5.87 | Displacement of [3H]N-methylscopolamine from human muscarinic M1 receptor expres... | 18395442 |
| Muscarinic acetylcholine receptor M3 | Ki | = | 1737.8 | nM | 5.76 | Displacement of [3H]N-methylscopolamine from human muscarinic M3 receptor expres... | 18395442 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 5495.41 | nM | 5.26 | 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