Compound Detail
CHEMBL147793
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Basic Information
| ChEMBL ID | CHEMBL147793 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FXECPKSAYXVAER-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1180929 |
| Active Moiety | CHEMBL1180929 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
211.3
MW (Da)
2.03
ALogP
2
HBA
0
HBD
18.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 4.48 | 4.48 | 33000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 33000.0 | nM | 4.48 | Concentration required to inhibit 50% of acetylcholinesterase (AChE) in human er... | 2913310 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2913310 | 10.1021/jm00122a034 | Acetylcholinesterase | 12 |
| 2913310 | 10.1021/jm00122a034 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine