Compound Detail
CHEMBL1643942
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC1=CCCN(CCCC#Cc2cc(C#CCCCN3CCC=C(C)C3)cc(C#CCCCN3CCC=C(C)C3)c2)C1
Basic Information
| ChEMBL ID | CHEMBL1643942 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DWFYNNQWDXKIDX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
561.9
MW (Da)
7.04
ALogP
3
HBA
0
HBD
9.7
PSA (Ų)
0.18
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-6 CHEMBL4747 | IC50 | 8.49 | 8.49 | 3.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-6 | IC50 | = | 3.22 | nM | 8.49 | 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