Compound Detail
CHEMBL5439234
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Basic Information
| ChEMBL ID | CHEMBL5439234 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AGDABZRBCXWDDH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
374.5
MW (Da)
5.64
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.61
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL5763 | IC50 | 5.39 | 5.39 | 4100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 4100.0 | nM | 5.39 | Inhibition of horse serum BuChE using butyrylthiocholine iodide as substrate mea... | 36084535 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36084535 | 10.1016/j.ejmech.2022.114729 | Cholinesterase | 3 |
| 36084535 | 10.1016/j.ejmech.2022.114729 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine