Compound Detail
CHEMBL1202148
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CN(C)c1cc[n+](CCC[n+]2ccc(/C=N/OCc3c(Cl)cccc3Cl)cc2)cc1.[Br-].[Br-]
Basic Information
| ChEMBL ID | CHEMBL1202148 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YAFJKMAILCPQFJ-OBXAHQNWSA-L |
| Parent Compound | CHEMBL33044 |
| Active Moiety | CHEMBL33044 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
445.4
MW (Da)
4.28
ALogP
3
HBA
0
HBD
32.6
PSA (Ų)
0.28
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL4781 | EC50 | 5.38 | 5.38 | 4200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | EC50 | = | 4200.0 | nM | 5.38 | Reduction of dissociation rate of [3H]N-methylscopolamine ([3H]NMS) from muscari... | 8182702 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8182702 | 10.1021/jm00036a008 | Muscarinic acetylcholine receptor M2 | 2 |
| 8182702 | 10.1021/jm00036a008 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine