Compound Detail
CHEMBL31599
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C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O
Basic Information
| ChEMBL ID | CHEMBL31599 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WDAXQFXYXWPELC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
548.7
MW (Da)
4.07
ALogP
4
HBA
0
HBD
74.8
PSA (Ų)
0.19
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL211 | EC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL4781 | EC50 | 5.84 | 5.84 | 1438.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | EC50 | = | 1000.0 | nM | 6.0 | Binding of [3H]N-methylscopolamine at porcine heart Muscarinic acetylcholine rec... | 12166953 |
| Muscarinic acetylcholine receptor M2 | EC50 | = | 1438.8 | nM | 5.84 | Ability to dissociate radioligand [3H]NMS from muscarinic acetylcholine receptor... | 12672239 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24534538 | 10.1016/j.ejmech.2014.01.032 | Muscarinic receptor 2 | 4 |
| 12166953 | 10.1021/jm020871e | Muscarinic acetylcholine receptor M2 | 2 |
| 24534538 | 10.1016/j.ejmech.2014.01.032 | Unchecked | 2 |
| 24534538 | 10.1016/j.ejmech.2014.01.032 | Acetylcholine receptor subunit epsilon | 2 |
| 12672239 | 10.1021/jm021077w | Muscarinic acetylcholine receptor M2 | 1 |
Data from ChEMBL 36 via Core Engine