Compound Detail
CHEMBL491262
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=S(=O)(Nc1ccc2c(c1)Cc1cc(NS(=O)(=O)c3cc(F)c(F)c(F)c3)ccc1-2)c1cc(F)c(F)c(F)c1
Basic Information
| ChEMBL ID | CHEMBL491262 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FQSGNGDAVDQPES-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
584.5
MW (Da)
5.69
ALogP
4
HBA
2
HBD
92.3
PSA (Ų)
0.20
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.73 | 7.485 | 18.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 18.6 | nM | 7.73 | Inhibition of human intestinal CE-mediated O-nitrophenyl acetate hydrolysis by s... | 19534556 |
| Unchecked | Ki | = | 58.1 | nM | 7.24 | Inhibition of human intestinal CE-mediated irinotecan hydrolysis | 19534556 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19534556 | 10.1021/jm9001296 | Unchecked | 2 |
| 19534556 | 10.1021/jm9001296 | Liver carboxylesterase 1 | 1 |
| 19534556 | 10.1021/jm9001296 | Acetylcholinesterase | 1 |
| 19534556 | 10.1021/jm9001296 | Cholinesterase | 1 |
Data from ChEMBL 36 via Core Engine