Compound Detail
CHEMBL3735202
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Basic Information
| ChEMBL ID | CHEMBL3735202 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JJXUWBKQGUEEIM-VMPITWQZSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
265.2
MW (Da)
3.93
ALogP
1
HBA
1
HBD
32.9
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 7.1 | 6.59 | 80.0 | 2 |
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 5.42 | 5.42 | 3810.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 80.0 | nM | 7.1 | Inhibition of recombinant human MAO-B using p-tyramine as substrate incubated fo... | 36037788 |
| Amine oxidase [flavin-containing] B | IC50 | = | 830.0 | nM | 6.08 | Inhibition of human MAO-B expressed in baculovirus infected BT1 cells microsome ... | 26432037 |
| Amine oxidase [flavin-containing] A | IC50 | = | 3810.0 | nM | 5.42 | Inhibition of human MAO-A expressed in baculovirus infected BT1 cells microsome ... | 26432037 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26432037 | 10.1016/j.bmcl.2015.09.049 | Amine oxidase [flavin-containing] B | 3 |
| 26432037 | 10.1016/j.bmcl.2015.09.049 | Amine oxidase [flavin-containing] A | 3 |
| 26432037 | 10.1016/j.bmcl.2015.09.049 | HeLa | 3 |
| 26432037 | 10.1016/j.bmcl.2015.09.049 | Unchecked | 1 |
| 36037788 | 10.1016/j.ejmech.2022.114655 | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine