Compound Detail
CHEMBL102077
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Basic Information
| ChEMBL ID | CHEMBL102077 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OODWAZMWCXUTBH-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1179827 |
| Active Moiety | CHEMBL1179827 |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
248.4
MW (Da)
3.14
ALogP
3
HBA
0
HBD
26.3
PSA (Ų)
0.37
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4768 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
| Acetylcholinesterase CHEMBL220 | IC50 | 4.1 | 4.05 | 80000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of Acetylcholinesterase activity of calf forebrain | 9301662 |
| Acetylcholinesterase | IC50 | = | 80000.0 | nM | 4.1 | Inhibition of Acetylcholinesterase from human red blood cells | 9301662 |
| Acetylcholinesterase | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of Acetylcholinesterase activity from octopus brain | 9301662 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9301662 | 10.1021/jm970141k | Acetylcholinesterase | 3 |
Data from ChEMBL 36 via Core Engine