Compound Detail
CHEMBL5433445
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Basic Information
| ChEMBL ID | CHEMBL5433445 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WQKWRKGCEATEEI-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
307.4
MW (Da)
3.72
ALogP
4
HBA
0
HBD
30.9
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL5763 | IC50 | 4.69 | 4.69 | 20320.0 | 1 |
| BV-2 CHEMBL614781 | IC50 | 4.5 | 4.5 | 31560.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 20320.0 | nM | 4.69 | Inhibition of equine serum BuChE using BTCI as substrate pre-incubated for 10 mi... | 37172474 |
| BV-2 | IC50 | = | 31560.0 | nM | 4.5 | Inhibition of NO production in LPS-induced mouse BV-2 cells incubated for 24 hrs... | 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 |
| 37172474 | 10.1016/j.ejmech.2023.115414 | BV-2 | 1 |
Data from ChEMBL 36 via Core Engine