Compound Detail
CHEMBL195067
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Basic Information
| ChEMBL ID | CHEMBL195067 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UJYFHDXYPAFONC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
499.8
MW (Da)
7.31
ALogP
5
HBA
2
HBD
54.0
PSA (Ų)
0.21
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL1914 | IC50 | 8.07 | 8.07 | 8.6 | 1 |
| Acetylcholinesterase CHEMBL220 | IC50 | 7.49 | 7.49 | 32.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 8.58 | nM | 8.07 | Inhibitory concentration against human recombinant butyrylcholinesterase | 15658850 |
| Acetylcholinesterase | IC50 | = | 32.7 | nM | 7.49 | Inhibitory concentration against human recombinant acetylcholinesterase | 15658850 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15658850 | 10.1021/jm049112h | Acetylcholinesterase | 1 |
| 15658850 | 10.1021/jm049112h | Cholinesterase | 1 |
Data from ChEMBL 36 via Core Engine