Compound Detail
CHEMBL3145271
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Basic Information
| ChEMBL ID | CHEMBL3145271 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FUDQXAFWYDLQDW-YBFXNURJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
321.3
MW (Da)
1.63
ALogP
5
HBA
2
HBD
92.1
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 4.88 | 4.88 | 13320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 13320.0 | nM | 4.88 | Inhibition of human recombinant MAOB using kynuramine as substrate by fluorimetr... | 22225638 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22225638 | 10.1016/j.bmcl.2011.12.056 | Amine oxidase [flavin-containing] B | 1 |
| 22225638 | 10.1016/j.bmcl.2011.12.056 | Amine oxidase [flavin-containing] A | 1 |
Data from ChEMBL 36 via Core Engine