Compound Detail
CHEMBL1643943
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C(#Cc1ccccc1C#CCCC[n+]1ccc2ccccc2c1)CCC[n+]1ccc2ccccc2c1.[Br-].[Br-]
Basic Information
| ChEMBL ID | CHEMBL1643943 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IGPDJKUYCBAWHB-UHFFFAOYSA-L |
| Parent Compound | CHEMBL1739679 |
| Active Moiety | CHEMBL1739679 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
466.6
MW (Da)
6.23
ALogP
0
HBA
0
HBD
7.8
PSA (Ų)
0.16
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-6 CHEMBL4747 | IC50 | 7.2 | 7.2 | 63.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-6 | IC50 | = | 63.0 | nM | 7.2 | Antagonist activity at alpha6 nAChR in rat striatum assessed as inhibition of ni... | 21147530 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21147530 | 10.1016/j.bmcl.2010.11.070 | Neuronal acetylcholine receptor subunit alpha-6 | 3 |
| 21397497 | 10.1016/j.bmcl.2011.02.043 | Neuronal acetylcholine receptor; alpha9/alpha10 | 1 |
Data from ChEMBL 36 via Core Engine