Compound Detail
CHEMBL5173112
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[N+](C)(CCOc1ccc(/C=C/c2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2.[I-]
Basic Information
| ChEMBL ID | CHEMBL5173112 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ARMCBNONVRIBTD-HRNDJLQDSA-M |
| Parent Compound | CHEMBL5221485 |
| Active Moiety | CHEMBL5221485 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
402.6
MW (Da)
6.28
ALogP
1
HBA
0
HBD
9.2
PSA (Ų)
0.39
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL2492 | Ki | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 1600.0 | nM | 5.8 | Displacement of [125I]alpha-bungarotoxin from human alpha7 nAChR expressed in SH... | 35834819 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35834819 | 10.1021/acs.jmedchem.2c00746 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
Data from ChEMBL 36 via Core Engine