Compound Detail
CHEMBL160836
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Basic Information
| ChEMBL ID | CHEMBL160836 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RGWBBDIISQYISM-GRSHGNNSSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
364.2
MW (Da)
3.41
ALogP
4
HBA
1
HBD
55.6
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 140.0 | nM | 6.85 | Inhibition of acetylcholinesterase. | - |
| Amine oxidase [flavin-containing] A | IC50 | = | 210.0 | nM | 6.68 | 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 | 6 |
| - | 10.1016/0960-894X(96)00072-8 | Amine oxidase [flavin-containing] B | 6 |
| - | 10.1016/0960-894X(96)00072-8 | Acetylcholinesterase | 5 |
Data from ChEMBL 36 via Core Engine