Compound Detail
CHEMBL1760717
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Basic Information
| ChEMBL ID | CHEMBL1760717 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QJWINFIMUCWAJE-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
5.43
ALogP
2
HBA
1
HBD
24.4
PSA (Ų)
0.49
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2993 | Ki | 8.46 | 8.46 | 3.4 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2039 | Ki | 8.38 | 8.38 | 4.2 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL1951 | Ki | 6.48 | 6.48 | 332.4 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL3358 | Ki | 6.4 | 6.4 | 396.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | Ki | = | 3.43 | nM | 8.46 | Competitive inhibition of rat liver MAO-B after 60 mins using p-tyramine as subs... | 21377879 |
| Amine oxidase [flavin-containing] B | Ki | = | 4.21 | nM | 8.38 | Competitive inhibition of human recombinant MAO-B after 60 mins using p-tyramine... | 21377879 |
| Amine oxidase [flavin-containing] A | Ki | = | 332.41 | nM | 6.48 | Competitive inhibition of human recombinant MAO-A after 60 mins using p-tyramine... | 21377879 |
| Amine oxidase [flavin-containing] A | Ki | = | 396.57 | nM | 6.4 | Competitive inhibition of rat liver MAO-A after 60 mins using p-tyramine as subs... | 21377879 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21377879 | 10.1016/j.bmcl.2011.02.030 | Amine oxidase [flavin-containing] A | 2 |
| 21377879 | 10.1016/j.bmcl.2011.02.030 | Amine oxidase [flavin-containing] B | 2 |
Data from ChEMBL 36 via Core Engine