Compound Detail
CHEMBL1796458
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Basic Information
| ChEMBL ID | CHEMBL1796458 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFUHBVOARWDKKJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
282.4
MW (Da)
2.48
ALogP
3
HBA
1
HBD
54.5
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL1951 | Ki | 6.34 | 6.34 | 456.0 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2039 | Ki | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | Ki | = | 456.0 | nM | 6.34 | Inhibition of human MAO-A expressed in BTI insect cells using p-tyramine as subs... | 21680183 |
| Amine oxidase [flavin-containing] B | Ki | = | 4000.0 | nM | 5.4 | Inhibition of human MAO-B expressed in BTI insect cells using p-tyramine as subs... | 21680183 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21680183 | 10.1016/j.bmcl.2011.05.057 | Amine oxidase [flavin-containing] A | 3 |
| 21680183 | 10.1016/j.bmcl.2011.05.057 | Amine oxidase [flavin-containing] B | 3 |
| 21680183 | 10.1016/j.bmcl.2011.05.057 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine