Compound Detail
CHEMBL100020
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Basic Information
| ChEMBL ID | CHEMBL100020 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VZGIPERPUUMOQR-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
381.6
MW (Da)
3.59
ALogP
3
HBA
2
HBD
44.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL3199 | IC50 | 7.89 | 7.89 | 13.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 13.0 | nM | 7.89 | In vitro inhibitory effect on rat Acetylcholinesterase | 7636858 |
| Acetylcholinesterase | IC50 | = | 13.0 | nM | 7.89 | Inhibition against acetylcholinesterase (AChE) | 8126709 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8126709 | 10.1021/jm00031a019 | Acetylcholinesterase | 3 |
| 8126709 | 10.1021/jm00031a019 | Mus musculus | 3 |
| 8126709 | 10.1021/jm00031a019 | Rattus norvegicus | 2 |
| 7636858 | 10.1021/jm00015a020 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine