Compound Detail
CHEMBL2019028
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Basic Information
| ChEMBL ID | CHEMBL2019028 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UGDYJORPHBECCY-UHFFFAOYSA-N |
| Parent Compound | CHEMBL2021741 |
| Active Moiety | CHEMBL2021741 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
497.6
MW (Da)
6.40
ALogP
5
HBA
2
HBD
84.2
PSA (Ų)
0.23
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL5763 | IC50 | 9.3 | 9.3 | 0.5 | 1 |
| Acetylcholinesterase CHEMBL4768 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 0.5 | nM | 9.3 | Inhibition of horse serum BChE by Ellman's method | 22243648 |
| Acetylcholinesterase | IC50 | = | 150.0 | nM | 6.82 | Inhibition of bovine erythrocytes AChE by Ellman's method | 22243648 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22243648 | 10.1021/jm201460y | Cholinesterase | 1 |
| 22243648 | 10.1021/jm201460y | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine