Compound Detail
CHEMBL5169582
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Basic Information
| ChEMBL ID | CHEMBL5169582 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWPANNQWCOLJDD-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
217.3
MW (Da)
3.06
ALogP
4
HBA
0
HBD
30.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL5763 | IC50 | 4.31 | 4.31 | 48800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 48800.0 | nM | 4.31 | Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate ... | 35870364 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35870364 | 10.1016/j.ejmech.2022.114616 | Cholinesterase | 2 |
| 35870364 | 10.1016/j.ejmech.2022.114616 | Acetylcholinesterase | 2 |
| 35870364 | 10.1016/j.ejmech.2022.114616 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine