Compound Detail
CHEMBL156931
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Basic Information
| ChEMBL ID | CHEMBL156931 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VNIUREJLUZLBEI-VBKFSLOCSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
271.3
MW (Da)
2.26
ALogP
4
HBA
1
HBD
55.6
PSA (Ų)
0.86
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 5.47 | 5.47 | 3360.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 4.87 | 4.87 | 13600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 3360.0 | nM | 5.47 | Inhibition of acetylcholinesterase. | - |
| Amine oxidase [flavin-containing] A | IC50 | = | 13600.0 | nM | 4.87 | Compound was tested for inhibition of monoamine oxidase-A (MAO-A). | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00072-8 | Amine oxidase [flavin-containing] A | 1 |
| - | 10.1016/0960-894X(96)00072-8 | Amine oxidase [flavin-containing] B | 1 |
| - | 10.1016/0960-894X(96)00072-8 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine