Compound Detail
CHEMBL1202155
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)(CC(=O)c1ccc(-c2ccc(C(=O)C[N+](C)(C)CC3OCCO3)cc2)cc1)CC1OCCO1.[Br-].[Br-]
Basic Information
| ChEMBL ID | CHEMBL1202155 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RVQUYKQODXTSEI-UHFFFAOYSA-L |
| Parent Compound | CHEMBL41838 |
| Active Moiety | CHEMBL41838 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
498.6
MW (Da)
2.62
ALogP
6
HBA
0
HBD
71.1
PSA (Ų)
0.35
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4768 | IC50 | 5.0 | 5.0 | 9900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 9900.0 | nM | 5.0 | Concentration required to inhibit hydrolytic activity of bovine erythrocyte acet... | 2033583 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2033583 | 10.1021/jm00109a009 | Mus musculus | 1 |
| 2033583 | 10.1021/jm00109a009 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine