Compound Detail
CHEMBL3393844
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Basic Information
| ChEMBL ID | CHEMBL3393844 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ONIYXBSQSPCBOF-BQYQJAHWSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
300.3
MW (Da)
3.01
ALogP
5
HBA
2
HBD
76.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 6.41 | 6.41 | 390.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 5.57 | 5.57 | 2710.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | IC50 | = | 390.0 | nM | 6.41 | Inhibition of human MAO-A using kynuramine as substrate incubated for 20 mins by... | 32920430 |
| NON-PROTEIN TARGET | IC50 | = | 2300.0 | nM | 5.64 | Antimelanogenic activity in mouse B16F10 cells assessed as inhibition of melanin... | 25597012 |
| Amine oxidase [flavin-containing] B | IC50 | = | 2710.0 | nM | 5.57 | Inhibition of human MAO-B using kynuramine as substrate incubated for 20 mins by... | 32920430 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25597012 | 10.1016/j.bmcl.2014.12.082 | Tyrosinase | 1 |
| 25597012 | 10.1016/j.bmcl.2014.12.082 | NON-PROTEIN TARGET | 1 |
| 32920430 | 10.1016/j.ejmech.2020.112650 | Amine oxidase [flavin-containing] A | 1 |
| 32920430 | 10.1016/j.ejmech.2020.112650 | Amine oxidase [flavin-containing] B | 1 |
| 32920430 | 10.1016/j.ejmech.2020.112650 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine