Compound Detail
CHEMBL54058
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
O=C(c1ccc(S(=O)(=O)Cc2ccccc2)cc1)N(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL54058 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JXZPABCPJFWXOY-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
552.7
MW (Da)
6.61
ALogP
4
HBA
0
HBD
57.7
PSA (Ų)
0.22
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL3198 | IC50 | 9.22 | 9.22 | 0.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 0.5998 | nM | 9.22 | Inhibition against Acetylcholinesterase (AChE) | 8558505 |
| Acetylcholinesterase | IC50 | = | 0.6 | nM | 9.22 | Inhibitory activity against mouse brain Acetylcholinesterase | 2362265 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8558505 | 10.1021/jm950704x | Acetylcholinesterase | 1 |
| 2362265 | 10.1021/jm00169a008 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine