Compound Detail
CHEMBL380572
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CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCOc1ccon1.[Br-].[Br-]
Basic Information
| ChEMBL ID | CHEMBL380572 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XPGOOFYDMYOMGG-UHFFFAOYSA-L |
| Parent Compound | CHEMBL1184960 |
| Active Moiety | CHEMBL1184960 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
574.8
MW (Da)
5.25
ALogP
5
HBA
0
HBD
72.6
PSA (Ų)
0.11
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL4781 | EC50 | 8.96 | 8.96 | 1.1 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | EC50 | 5.05 | 5.05 | 8912.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | EC50 | = | 1.096 | nM | 8.96 | Inhibition of [3H]NMS dissociation from porcine heart muscarinic receptor M2 | 16392821 |
| Muscarinic acetylcholine receptor M1 | EC50 | = | 8912.51 | nM | 5.05 | Potency at muscarinic receptor M1 in rabbit vas deferens | 16392821 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16392821 | 10.1021/jm050769s | Muscarinic acetylcholine receptor M3 | 5 |
| 16392821 | 10.1021/jm050769s | Muscarinic acetylcholine receptor M2 | 4 |
| 16392821 | 10.1021/jm050769s | Muscarinic acetylcholine receptor M1 | 3 |
Data from ChEMBL 36 via Core Engine