Compound Detail
CHEMBL4112162
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Basic Information
| ChEMBL ID | CHEMBL4112162 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UKCBMHDZLYYTMI-NFJWQWPMSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
284.8
MW (Da)
4.47
ALogP
2
HBA
1
HBD
38.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 7.87 | 7.87 | 13.6 | 1 |
| Cholinesterase CHEMBL1914 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
| Acetylcholinesterase CHEMBL4078 | IC50 | 6.43 | 6.43 | 373.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 13.6 | nM | 7.87 | Inhibition Assay: AChE inhibitory activity of compounds (Ia)-(Ie) and (-)-(Ib) a... | - |
| Cholinesterase | IC50 | = | 170.0 | nM | 6.77 | Inhibition Assay: BChE inhibitory activity determinations were carried out simil... | - |
| Acetylcholinesterase | IC50 | = | 373.0 | nM | 6.43 | Inhibition Assay: AChE inhibitory activity of compounds (Ia)-(Ie) and (-)-(Ib) a... | - |
Data from ChEMBL 36 via Core Engine