Compound Detail
CHEMBL470715
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Basic Information
| ChEMBL ID | CHEMBL470715 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZNRGREFWBCWZAU-LJQANCHMSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
393.5
MW (Da)
3.95
ALogP
6
HBA
2
HBD
86.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4078 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
| Acetylcholinesterase CHEMBL220 | IC50 | 6.42 | 6.42 | 378.0 | 1 |
| Cholinesterase CHEMBL1914 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 80.0 | nM | 7.1 | Inhibition of electric eel AChE by Ellman's method | 19374444 |
| Acetylcholinesterase | IC50 | = | 378.0 | nM | 6.42 | Inhibition of human serum AChE by Ellman's method | 19374444 |
| Cholinesterase | IC50 | = | 11000.0 | nM | 4.96 | Inhibition of human serum BChE by Ellman's method | 19374444 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19374444 | 10.1021/jm801292b | Acetylcholinesterase | 3 |
| 19374444 | 10.1021/jm801292b | Cholinesterase | 1 |
| 19374444 | 10.1021/jm801292b | Cholinesterases; ACHE & BCHE | 1 |
Data from ChEMBL 36 via Core Engine