Compound Detail
CHEMBL3394537
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Basic Information
| ChEMBL ID | CHEMBL3394537 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CDVYYTNUPRMDNC-KEBDBYFISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
321.3
MW (Da)
3.44
ALogP
5
HBA
2
HBD
83.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 6.66 | 6.66 | 217.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 217.0 | nM | 6.66 | Inhibition of human recombinant MAO-B using p-tyramine as substrate assessed as ... | 25542589 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25542589 | 10.1016/j.bmcl.2014.12.034 | ADMET | 1 |
| 25542589 | 10.1016/j.bmcl.2014.12.034 | Amyloid-beta precursor protein | 1 |
| 25542589 | 10.1016/j.bmcl.2014.12.034 | Unchecked | 1 |
| 25542589 | 10.1016/j.bmcl.2014.12.034 | Amine oxidase [flavin-containing] B | 1 |
| 25542589 | 10.1016/j.bmcl.2014.12.034 | Amine oxidase [flavin-containing] A | 1 |
Data from ChEMBL 36 via Core Engine