Compound Detail
CHEMBL4922390
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Basic Information
| ChEMBL ID | CHEMBL4922390 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LIWPWIJZEAZVBL-AWEZNQCLSA-O |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
326.4
MW (Da)
3.31
ALogP
3
HBA
1
HBD
38.7
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.15
Ki 1 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL5763 | Ki | 5.66 | 5.66 | 2200.0 | 1 |
| Cholinesterase CHEMBL5763 | IC50 | 5.15 | 5.15 | 7100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | Ki | = | 2200.0 | nM | 5.66 | Inhibition of horse serum BChE incubated for 5 mins by DTNB reagent based Ellman... | 34910498 |
| Cholinesterase | IC50 | = | 7100.0 | nM | 5.15 | Inhibition of horse serum BChE incubated for 5 mins by DTNB reagent based Ellman... | 34910498 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34910498 | 10.1021/acs.jnatprod.1c00980 | Acetylcholinesterase | 4 |
| - | 10.6019/CHEMBL4888484 | Plasmodium falciparum | 2 |
| 34910498 | 10.1021/acs.jnatprod.1c00980 | Cholinesterase | 2 |
Data from ChEMBL 36 via Core Engine