Compound Detail
CHEMBL538358
DECIDIUM Enter ChEMBL ID:
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C[N+](C)(C)CCCCCCCCCC[n+]1c(-c2ccccc2)cc(N)c2ccc3ccc(N)cc3c21.[Cl-].[Cl-]
Basic Information
| ChEMBL ID | CHEMBL538358 |
| Name | DECIDIUM |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AEMSMRRKFDURDS-UHFFFAOYSA-M |
| Parent Compound | CHEMBL483714 |
| Active Moiety | CHEMBL483714 |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
484.7
MW (Da)
6.94
ALogP
2
HBA
2
HBD
55.9
PSA (Ų)
0.08
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 4.1
Ki 1 meas. best 7.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4780 | Ki | 7.67 | 7.67 | 21.3 | 1 |
| Acetylcholinesterase CHEMBL3198 | Kd | 4.1 | 4.1 | 79000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | Ki | = | 21.3 | nM | 7.67 | Inhibition of Torpedo californica AChE | 18479118 |
| Acetylcholinesterase | Kd | = | 79000.0 | nM | 4.1 | Binding affinity to mouse AChE | 18479118 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18479118 | 10.1021/jm701253t | Acetylcholinesterase | 3 |
| 18479118 | 10.1021/jm701253t | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine