Compound Detail
CHEMBL2420789
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Basic Information
| ChEMBL ID | CHEMBL2420789 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NPNZPXPMIDOIDD-BQYQJAHWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
246.7
MW (Da)
4.14
ALogP
2
HBA
0
HBD
30.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 6.46 | 6.46 | 344.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 4.22 | 4.22 | 59500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 344.0 | nM | 6.46 | Inhibition of human recombinant MAO-B expressed in insect cell microsomes using ... | 23860591 |
| Amine oxidase [flavin-containing] A | IC50 | = | 59500.0 | nM | 4.22 | Inhibition of human recombinant MAO-A expressed in insect cell microsomes using ... | 23860591 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23860591 | 10.1016/j.bmcl.2013.06.050 | Unchecked | 1 |
| 23860591 | 10.1016/j.bmcl.2013.06.050 | Amine oxidase [flavin-containing] B | 1 |
| 23860591 | 10.1016/j.bmcl.2013.06.050 | Amine oxidase [flavin-containing] A | 1 |
Data from ChEMBL 36 via Core Engine