Compound Detail
CHEMBL4473505
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Basic Information
| ChEMBL ID | CHEMBL4473505 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FKWYUDDRIYFWJH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
488.7
MW (Da)
6.41
ALogP
5
HBA
3
HBD
77.6
PSA (Ų)
0.20
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL1914 | IC50 | 7.5 | 7.5 | 32.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 32.0 | nM | 7.5 | Inhibition of BChE (unknown origin) incubated for 10 mins by Ellman's method | 31708262 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31708262 | 10.1016/j.bmcl.2019.126754 | Cholinesterase | 2 |
| 31708262 | 10.1016/j.bmcl.2019.126754 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine