Compound Detail
CHEMBL191758
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Basic Information
| ChEMBL ID | CHEMBL191758 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FPBUGSBZFOFWAX-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
289.8
MW (Da)
3.53
ALogP
3
HBA
2
HBD
50.9
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 7.67 | 7.67 | 21.5 | 2 |
| Cholinesterase CHEMBL1914 | IC50 | 5.59 | 5.59 | 2580.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 21.5 | nM | 7.67 | Inhibitory concentration against human recombinant acetylcholinesterase | 15658850 |
| Acetylcholinesterase | IC50 | = | 21.5 | nM | 7.67 | Inhibition of human recombinant AChE by Ellman's method | 18605718 |
| Cholinesterase | IC50 | = | 2580.0 | nM | 5.59 | Inhibitory concentration against human recombinant butyrylcholinesterase | 15658850 |
| Cholinesterase | IC50 | = | 2580.0 | nM | 5.59 | Inhibition of human serum BChE by Ellman's method | 18605718 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15658850 | 10.1021/jm049112h | Homo sapiens | 7 |
| 18605718 | 10.1021/jm800577j | Acetylcholinesterase | 2 |
| 15658850 | 10.1021/jm049112h | Acetylcholinesterase | 1 |
| 15658850 | 10.1021/jm049112h | Cholinesterase | 1 |
| 18605718 | 10.1021/jm800577j | Cholinesterase | 1 |
| 18605718 | 10.1021/jm800577j | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine