Compound Detail
CHEMBL1761994
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Basic Information
| ChEMBL ID | CHEMBL1761994 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GENQOQKDJFTHMQ-UHFFFAOYSA-L |
| Parent Compound | CHEMBL1789160 |
| Active Moiety | CHEMBL1789160 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
356.5
MW (Da)
5.22
ALogP
0
HBA
0
HBD
7.8
PSA (Ų)
0.30
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
| Cholinesterase CHEMBL1914 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 90.0 | nM | 7.05 | Inhibition of human erythrocyte recombinant AChE by modified Ellman's method | 21397501 |
| Cholinesterase | IC50 | = | 400.0 | nM | 6.4 | Inhibition of human plasmatic BChE by modified Ellman's method | 21397501 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21397501 | 10.1016/j.bmcl.2011.02.047 | Acetylcholinesterase | 1 |
| 21397501 | 10.1016/j.bmcl.2011.02.047 | Cholinesterase | 1 |
| 21397501 | 10.1016/j.bmcl.2011.02.047 | Cholinesterases; ACHE & BCHE | 1 |
Data from ChEMBL 36 via Core Engine