Compound Detail
CHEMBL274029
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Basic Information
| ChEMBL ID | CHEMBL274029 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JDNSAFIIOVPTOF-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
204.2
MW (Da)
2.42
ALogP
3
HBA
0
HBD
39.4
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2993 | IC50 | 9.3 | 9.3 | 0.5 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL3358 | IC50 | 7.15 | 7.15 | 71.0 | 1 |
| Acetylcholinesterase CHEMBL4768 | IC50 | 4.38 | 4.38 | 42000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 0.5 | nM | 9.3 | In vitro inhibitory activity against monoamine oxidase B (MAO-B) in rat brain ho... | - |
| Amine oxidase [flavin-containing] A | IC50 | = | 71.0 | nM | 7.15 | In vitro inhibitory against monoamine oxidase A (MAO-A) in rat brain homogenate. | - |
| Acetylcholinesterase | IC50 | = | 42000.0 | nM | 4.38 | Inhibition of bovine AChE by Ellman's method | 18585045 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11543689 | 10.1021/jm010894d | Acetylcholinesterase | 2 |
| - | 10.1016/S0960-894X(01)80328-0 | Amine oxidase [flavin-containing] A | 1 |
| - | 10.1016/S0960-894X(01)80328-0 | Amine oxidase [flavin-containing] B | 1 |
| 18585045 | 10.1016/j.bmc.2008.06.022 | Acetylcholinesterase | 1 |
| 18585045 | 10.1016/j.bmc.2008.06.022 | Cholinesterase | 1 |
Data from ChEMBL 36 via Core Engine