Compound Detail
CHEMBL1643950
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OCCCC1=CCCN(CCCCCc2cc(CCCCCN3CCC=C(CCCO)C3)c(CCCCCN3CCC=C(CCCO)C3)cc2CCCCCN2CCC=C(CCCO)C2)C1
Basic Information
| ChEMBL ID | CHEMBL1643950 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NWDWARKIUYIWSS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
915.5
MW (Da)
10.16
ALogP
8
HBA
4
HBD
93.9
PSA (Ų)
0.04
QED
2
Ro5 Violations
36
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-6 CHEMBL4747 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-6 | IC50 | = | 30.0 | nM | 7.52 | 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