Compound Detail
CHEMBL3740394
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Basic Information
| ChEMBL ID | CHEMBL3740394 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TYXYMBPBHSSRTI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
268.3
MW (Da)
3.27
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 4.69 | 4.69 | 20510.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 4.41 | 4.41 | 39270.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 20510.0 | nM | 4.69 | Inhibition of human MAO-B using p-tyramine as substrate assessed as production o... | - |
| Amine oxidase [flavin-containing] A | IC50 | = | 39270.0 | nM | 4.41 | Inhibition of human MAO-A using p-tyramine as substrate assessed as production o... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C5MD00124B | Amine oxidase [flavin-containing] A | 1 |
| - | 10.1039/C5MD00124B | Amine oxidase [flavin-containing] B | 1 |
| - | 10.1039/C5MD00124B | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine