Compound Detail
CHEMBL1643939
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Basic Information
| ChEMBL ID | CHEMBL1643939 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | URPJSAGEUYMXEH-UHFFFAOYSA-L |
| Parent Compound | CHEMBL1179031 |
| Active Moiety | CHEMBL1179031 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
326.5
MW (Da)
4.70
ALogP
0
HBA
0
HBD
7.8
PSA (Ų)
0.42
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-6 CHEMBL4747 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-6 | IC50 | = | 180.0 | nM | 6.75 | 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 |
Data from ChEMBL 36 via Core Engine