Compound Detail
CHEMBL96246
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Basic Information
| ChEMBL ID | CHEMBL96246 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZNARRZNSRNXCPB-KHPPLWFESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
318.4
MW (Da)
4.75
ALogP
3
HBA
0
HBD
29.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 210.0 | nM | 6.68 | Evaluated for the in vitro inhibition of the Acetylcholinesterase (AChE) from hu... | 8064800 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8064800 | 10.1021/jm00043a012 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine