Compound Detail
CHEMBL1643949
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c1ccc2c(c1)CCN(CCCCCc1cc(CCCCCN3CCc4ccccc4C3)c(CCCCCN3CCc4ccccc4C3)cc1CCCCCN1CCc3ccccc3C1)C2
Basic Information
| ChEMBL ID | CHEMBL1643949 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KTHOUICBVFUICX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
883.4
MW (Da)
12.77
ALogP
4
HBA
0
HBD
13.0
PSA (Ų)
0.06
QED
2
Ro5 Violations
24
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-6 CHEMBL4747 | IC50 | 6.69 | 6.69 | 205.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-6 | IC50 | = | 205.0 | nM | 6.69 | 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