Compound Detail
CHEMBL1162998
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Basic Information
| ChEMBL ID | CHEMBL1162998 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NLOXEHUSCAYPBA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
438.5
MW (Da)
3.87
ALogP
4
HBA
2
HBD
92.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.42 | 6.42 | 385.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 385.0 | nM | 6.42 | Inhibition of human intestinal CE-mediated O-nitrophenyl acetate hydrolysis by s... | 19534556 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19534556 | 10.1021/jm9001296 | Unchecked | 1 |
| 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