Compound Detail
CHEMBL238979
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
C(#Cc1cc(C#CCCC[n+]2cccc(-c3ccccc3)c2)cc(C#CCCC[n+]2cccc(-c3ccccc3)c2)c1)CCC[n+]1cccc(-c2ccccc2)c1.[Br-].[Br-].[Br-]
Basic Information
| ChEMBL ID | CHEMBL238979 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UZRDNGGDNQWREX-UHFFFAOYSA-K |
| Parent Compound | CHEMBL1182445 |
| Active Moiety | CHEMBL1182445 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
739.0
MW (Da)
10.05
ALogP
0
HBA
0
HBD
11.6
PSA (Ų)
0.07
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha9/alpha10 CHEMBL2109238 | IC50 | 6.17 | 6.17 | 670.0 | 1 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL2492 | IC50 | 5.22 | 5.22 | 6010.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha9/alpha10 | IC50 | = | 670.0 | nM | 6.17 | Antagonist activity at alpha9/alpha10 nAChR expressed in Xenopus oocyte assessed... | 21397497 |
| Neuronal acetylcholine receptor subunit alpha-7 | IC50 | = | 6010.0 | nM | 5.22 | Antagonist activity at alpha7 nAChR expressed in Xenopus oocyte assessed as inhi... | 21397497 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21397497 | 10.1016/j.bmcl.2011.02.043 | Neuronal acetylcholine receptor; alpha9/alpha10 | 2 |
| 17977723 | 10.1016/j.bmcl.2007.10.062 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 17977723 | 10.1016/j.bmcl.2007.10.062 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
| 17977723 | 10.1016/j.bmcl.2007.10.062 | Unchecked | 1 |
| 21397497 | 10.1016/j.bmcl.2011.02.043 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
Data from ChEMBL 36 via Core Engine