Compound Detail
CHEMBL2018201
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Basic Information
| ChEMBL ID | CHEMBL2018201 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCNAYZFCZQVAJX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
416.5
MW (Da)
5.00
ALogP
4
HBA
2
HBD
84.5
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4078 | IC50 | 5.0 | 5.0 | 9900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 9900.0 | nM | 5.0 | Inhibition of electric eel AChE by Ellman's method | 22472693 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22472693 | 10.1016/j.bmcl.2012.03.046 | Acetylcholinesterase | 1 |
| 22472693 | 10.1016/j.bmcl.2012.03.046 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine