Compound Detail
CHEMBL1814645
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Basic Information
| ChEMBL ID | CHEMBL1814645 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QXAZOMDGGRSJGD-CSKARUKUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
264.4
MW (Da)
2.69
ALogP
4
HBA
0
HBD
33.2
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 4.98 | 4.98 | 10580.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 800.0 | nM | 6.1 | Inhibition of human recombinant MAOB by amplex red assay | 21742494 |
| Amine oxidase [flavin-containing] A | IC50 | = | 10580.0 | nM | 4.98 | Inhibition of human recombinant MAOA assessed as inhibition of kynuramine conver... | 21742494 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21742494 | 10.1016/j.bmcl.2011.06.060 | Amine oxidase [flavin-containing] B | 1 |
| 21742494 | 10.1016/j.bmcl.2011.06.060 | Amine oxidase [flavin-containing] A | 1 |
Data from ChEMBL 36 via Core Engine