Compound Detail
CHEMBL165220
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CN(CCCCCCCCN(C)CCCCCCN1CCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)CC1)CCCCCCN1CCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)CC1
Basic Information
| ChEMBL ID | CHEMBL165220 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSGGKEZDDZEDSK-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
959.4
MW (Da)
10.20
ALogP
10
HBA
2
HBD
106.0
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 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL276 | Ki | 8.3 | 8.3 | 5.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL309 | Ki | 7.85 | 7.85 | 14.1 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL317 | Ki | 7.5 | 7.5 | 31.6 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL320 | Ki | 6.52 | 6.52 | 302.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | Ki | = | 5.012 | nM | 8.3 | Inhibition of binding of [3H]pirenzepine to muscarinic receptor (M1) in rat cort... | - |
| Muscarinic acetylcholine receptor M2 | Ki | = | 14.13 | nM | 7.85 | Inhibition of binding of [3H]N-methylscopolamine to muscarinic receptor (M2) in ... | - |
| Muscarinic acetylcholine receptor M4 | Ki | = | 31.62 | nM | 7.5 | Inhibition of binding of [3H]N-methylscopolamine to Muscarinic acetylcholine rec... | - |
| Muscarinic acetylcholine receptor M3 | Ki | = | 302.0 | nM | 6.52 | 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