Compound Detail
CHEMBL163901
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CN(CCCCCCCCN(C)CCCCCCN1CCC(OC(=O)C(c2ccccc2)c2ccccc2)CC1)CCCCCCN1CCC(OC(=O)C(c2ccccc2)c2ccccc2)CC1
Basic Information
| ChEMBL ID | CHEMBL163901 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YYSVGDFPWCNCAT-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
927.4
MW (Da)
11.99
ALogP
8
HBA
0
HBD
65.6
PSA (Ų)
0.04
QED
2
Ro5 Violations
31
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M4 CHEMBL317 | Ki | 7.4 | 7.4 | 39.8 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL276 | Ki | 7.12 | 7.12 | 75.9 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL309 | Ki | 6.74 | 6.74 | 182.0 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL320 | Ki | 5.67 | 5.67 | 2138.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M4 | Ki | = | 39.81 | nM | 7.4 | Inhibition of binding of [3H]N-methylscopolamine to Muscarinic acetylcholine rec... | - |
| Muscarinic acetylcholine receptor M1 | Ki | = | 75.86 | nM | 7.12 | Inhibition of binding of [3H]pirenzepine to muscarinic receptor (M1) in rat cort... | - |
| Muscarinic acetylcholine receptor M2 | Ki | = | 181.97 | nM | 6.74 | Inhibition of binding of [3H]N-methylscopolamine to muscarinic receptor (M2) in ... | - |
| Muscarinic acetylcholine receptor M3 | Ki | = | 2137.96 | nM | 5.67 | Inhibition of binding of [3H]N-methylscopolamine to muscarinic receptor (M3) in ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00113-8 | Muscarinic acetylcholine receptor M1 | 1 |
| - | 10.1016/0960-894X(95)00113-8 | Muscarinic acetylcholine receptor M2 | 1 |
| - | 10.1016/0960-894X(95)00113-8 | Muscarinic acetylcholine receptor M3 | 1 |
| - | 10.1016/0960-894X(95)00113-8 | Muscarinic acetylcholine receptor M4 | 1 |
Data from ChEMBL 36 via Core Engine