Compound Detail
CHEMBL31221
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CC1CC(=O)N(CCC[N+](C)(C)CCCCCCC[N+](C)(C)CCCN2C(=O)CC(C)C2=O)C1=O
Basic Information
| ChEMBL ID | CHEMBL31221 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HDSFEZNHZZFGJU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
494.7
MW (Da)
2.66
ALogP
4
HBA
0
HBD
74.8
PSA (Ų)
0.19
QED
0
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL4781 | EC50 | 4.5 | 4.5 | 31989.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | EC50 | = | 31988.95 | nM | 4.5 | Ability to dissociate radioligand [3H]NMS from muscarinic acetylcholine receptor... | 12672239 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12672239 | 10.1021/jm021077w | Muscarinic acetylcholine receptor M2 | 1 |
Data from ChEMBL 36 via Core Engine