Compound Detail
CHEMBL1770198
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Basic Information
| ChEMBL ID | CHEMBL1770198 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HBIQZTMOTPPTQO-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1789493 |
| Active Moiety | CHEMBL1789493 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
333.4
MW (Da)
3.53
ALogP
3
HBA
0
HBD
39.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4078 | IC50 | 6.03 | 6.03 | 933.0 | 1 |
| Cholinesterase CHEMBL5763 | IC50 | 6.01 | 6.01 | 972.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 933.0 | nM | 6.03 | Inhibition of electric eel AChE by Ellman's method | 21367493 |
| Cholinesterase | IC50 | = | 972.0 | nM | 6.01 | Inhibition of equine serum BChE by Ellman's method | 21367493 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21367493 | 10.1016/j.ejmech.2011.02.005 | Unchecked | 2 |
| 21367493 | 10.1016/j.ejmech.2011.02.005 | Acetylcholinesterase | 1 |
| 21367493 | 10.1016/j.ejmech.2011.02.005 | Cholinesterase | 1 |
| 21367493 | 10.1016/j.ejmech.2011.02.005 | SH-SY5Y | 1 |
Data from ChEMBL 36 via Core Engine