Compound Detail
CHEMBL197604
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C[N+](C)(CC#CCN1CCCC1=O)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O.[Br-].[Br-]
Basic Information
| ChEMBL ID | CHEMBL197604 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PRKPEGFLSAHXKC-UHFFFAOYSA-L |
| Parent Compound | CHEMBL1181935 |
| Active Moiety | CHEMBL1181935 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
496.7
MW (Da)
3.01
ALogP
3
HBA
0
HBD
57.7
PSA (Ų)
0.18
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL4781 | EC50 | 7.22 | 7.22 | 60.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | EC50 | = | 60.26 | nM | 7.22 | Inhibition of [3H]NMS dissociation from porcine heart muscarinic receptor M2 | 16392821 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16392821 | 10.1021/jm050769s | Muscarinic acetylcholine receptor M3 | 4 |
| 16392821 | 10.1021/jm050769s | Muscarinic acetylcholine receptor M2 | 4 |
| 16392821 | 10.1021/jm050769s | Muscarinic acetylcholine receptor M1 | 2 |
Data from ChEMBL 36 via Core Engine