Compound Detail
CHEMBL5398483
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Basic Information
| ChEMBL ID | CHEMBL5398483 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RUNAFDLOXRYAAQ-ZWKOTPCHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
355.4
MW (Da)
2.68
ALogP
6
HBA
1
HBD
60.4
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4078 | IC50 | 5.37 | 5.37 | 4300.0 | 1 |
| Cholinesterase CHEMBL5763 | IC50 | 4.65 | 4.65 | 22470.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 4300.0 | nM | 5.37 | Inhibition of Electrophorus electricus AChE using ATCI as substrate pre-incubate... | 37172474 |
| Cholinesterase | IC50 | = | 22470.0 | nM | 4.65 | Inhibition of equine serum BuChE using BTCI as substrate pre-incubated for 10 mi... | 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