Compound Detail
CHEMBL4284416
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Basic Information
| ChEMBL ID | CHEMBL4284416 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ATNNLHXCRAAGJS-QZQOTICOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
338.6
MW (Da)
7.67
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.19
QED
1
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4078 | IC50 | 4.93 | 4.93 | 11720.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 11720.0 | nM | 4.93 | Inhibition of electric eel AChE using acetylthiocholine iodide as substrate prei... | 30220607 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30220607 | 10.1016/j.bmcl.2018.09.013 | Acetylcholinesterase | 2 |
| 30220607 | 10.1016/j.bmcl.2018.09.013 | Cholinesterase | 1 |
Data from ChEMBL 36 via Core Engine