Compound Detail
CHEMBL1088155
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Basic Information
| ChEMBL ID | CHEMBL1088155 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CRRSCQLMUZSJKA-UHFFFAOYSA-L |
| Parent Compound | CHEMBL1198983 |
| Active Moiety | CHEMBL1198983 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
256.4
MW (Da)
2.91
ALogP
0
HBA
0
HBD
7.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL1914 | IC50 | 4.11 | 4.11 | 78000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 78000.0 | nM | 4.11 | Inhibition of human plasma BChE after 5 mins by Ellman's method | 20138518 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20138518 | 10.1016/j.bmcl.2010.01.034 | Acetylcholinesterase | 1 |
| 20138518 | 10.1016/j.bmcl.2010.01.034 | Cholinesterase | 1 |
Data from ChEMBL 36 via Core Engine