Compound Detail
CHEMBL575613
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Basic Information
| ChEMBL ID | CHEMBL575613 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YGJVNJHITFLVDP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
251.3
MW (Da)
3.21
ALogP
3
HBA
1
HBD
51.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL1914 | IC50 | 6.47 | 6.47 | 342.0 | 1 |
| Acetylcholinesterase CHEMBL220 | IC50 | 6.09 | 6.09 | 810.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 342.0 | nM | 6.47 | Inhibition of human recombinant BuChE by Ellman's assay | 19473849 |
| Acetylcholinesterase | IC50 | = | 810.0 | nM | 6.09 | Inhibition of human recombinant AChE in erythrocytes by Ellman's assay | 19473849 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19473849 | 10.1016/j.bmc.2009.05.005 | Acetylcholinesterase | 1 |
| 19473849 | 10.1016/j.bmc.2009.05.005 | Cholinesterase | 1 |
| 19473849 | 10.1016/j.bmc.2009.05.005 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine