Compound Detail
CHEMBL274413
NAPHMETHONIUM Enter ChEMBL ID:
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CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O.[Br-].[Br-]
Basic Information
| ChEMBL ID | CHEMBL274413 |
| Name | NAPHMETHONIUM |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RAQIIXZOPAVKFU-UHFFFAOYSA-L |
| Parent Compound | CHEMBL1182967 |
| Active Moiety | CHEMBL1182967 |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
626.8
MW (Da)
5.86
ALogP
4
HBA
0
HBD
74.8
PSA (Ų)
0.12
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.29
IC50 1 meas. best 4.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL4781 | EC50 | 9.29 | 8.825 | 0.5 | 2 |
| Acetylcholine receptor subunit epsilon CHEMBL4961 | IC50 | 4.38 | 4.38 | 41686.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | EC50 | = | 0.5129 | nM | 9.29 | Inhibition of [3H]NMS dissociation from porcine heart muscarinic receptor M2 | 16392821 |
| Muscarinic acetylcholine receptor M2 | EC50 | = | 4.365 | nM | 8.36 | Effective concentration required to inhibit dissociation of [3H]NMS from porcine... | 12620079 |
| Acetylcholine receptor subunit epsilon | IC50 | = | 41686.94 | nM | 4.38 | Inhibition of acetylcholinesterase in rat brain homogenate after 15 mins by Ellm... | 24534538 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25051097 | 10.1021/jm500790x | Muscarinic acetylcholine receptor M2 | 6 |
| 12620079 | 10.1021/jm021017q | Muscarinic acetylcholine receptor M2 | 4 |
| 24534538 | 10.1016/j.ejmech.2014.01.032 | Muscarinic receptor 2 | 4 |
| 15771463 | 10.1021/jm049616f | Muscarinic acetylcholine receptor M2 | 3 |
| 16392821 | 10.1021/jm050769s | 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 |
| 25051097 | 10.1021/jm500790x | Muscarinic acetylcholine receptor M5 | 1 |
Data from ChEMBL 36 via Core Engine