Compound Detail
CHEMBL5414111
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Basic Information
| ChEMBL ID | CHEMBL5414111 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NFEXDKYJEYMIMF-CQSZACIVSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
309.4
MW (Da)
3.18
ALogP
4
HBA
0
HBD
30.9
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4078 | IC50 | 4.4 | 4.4 | 39800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 39800.0 | nM | 4.4 | Inhibition of Electrophorus electricus AChE using ATCI as substrate pre-incubate... | 37172474 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37172474 | 10.1016/j.ejmech.2023.115414 | Acetylcholinesterase | 1 |
| 37172474 | 10.1016/j.ejmech.2023.115414 | Cholinesterase | 1 |
Data from ChEMBL 36 via Core Engine