Compound Detail
CHEMBL165814
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C[N+](C)(CCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O.[Br-].[Br-]
Basic Information
| ChEMBL ID | CHEMBL165814 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AMHYJYYXMWOKQB-UHFFFAOYSA-L |
| Parent Compound | CHEMBL31895 |
| Active Moiety | CHEMBL31895 |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
520.7
MW (Da)
3.29
ALogP
4
HBA
0
HBD
74.8
PSA (Ų)
0.23
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL4781 | EC50 | 5.57 | 5.57 | 2690.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 14.0 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | EC50 | = | 2690.0 | nM | 5.57 | Allosteric potency against the dissociation of radioligand [3H]N-methylscopolami... | 10072682 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10072682 | 10.1021/jm981023f | Muscarinic acetylcholine receptor M2 | 1 |
| 10072682 | 10.1021/jm981023f | ADMET | 1 |
Data from ChEMBL 36 via Core Engine