Compound Detail
CHEMBL2203367
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CC(=O)O[C@H]1[C@@H]([N+]2(C)CCOCC2)C[C@H]2[C@@H]3CC[C@H]4C[C@@H]([N+]5(C)CCCCC5)CC[C@]4(C)[C@H]3CC[C@@]21C.[I-].[I-]
Basic Information
| ChEMBL ID | CHEMBL2203367 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DOOJMJZYXCZGRO-YYIFUYIDSA-L |
| Parent Compound | CHEMBL2220432 |
| Active Moiety | CHEMBL2220432 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
516.8
MW (Da)
5.42
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.37
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.46 | 5.46 | 3490.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3490.0 | nM | 5.46 | Inhibition of nAChR-mediated twitch response in mouse hemidiaphragm | 22910136 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22910136 | 10.1016/j.ejmech.2012.07.048 | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine