Compound Detail
CHEMBL2393501
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Basic Information
| ChEMBL ID | CHEMBL2393501 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YTDZILXNTXIXBP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
380.4
MW (Da)
2.23
ALogP
6
HBA
1
HBD
83.2
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4078 | IC50 | 4.67 | 4.67 | 21200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 21200.0 | nM | 4.67 | Inhibition of electric eel AChE using acetylthiocholine iodide as substrate prei... | 23644208 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23644208 | 10.1016/j.ejmech.2013.03.021 | NON-PROTEIN TARGET | 1 |
| 23644208 | 10.1016/j.ejmech.2013.03.021 | Cholinesterase | 1 |
| 23644208 | 10.1016/j.ejmech.2013.03.021 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine