Compound Detail
CHEMBL412711
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Basic Information
| ChEMBL ID | CHEMBL412711 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DWKMMHAIALSICX-GZTJUZNOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
279.4
MW (Da)
4.26
ALogP
4
HBA
1
HBD
37.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2756 | Ki | 7.04 | 7.04 | 91.2 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL3254 | Ki | 5.92 | 5.92 | 1202.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | Ki | = | 91.2 | nM | 7.04 | Inhibition of bovine brain mitochondria MAOB | 17253676 |
| Amine oxidase [flavin-containing] A | Ki | = | 1202.26 | nM | 5.92 | Inhibition of bovine brain mitochondria MAOA | 17253676 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17253676 | 10.1021/jm060869d | Amine oxidase [flavin-containing] A | 1 |
| 17253676 | 10.1021/jm060869d | Amine oxidase [flavin-containing] B | 1 |
| 17253676 | 10.1021/jm060869d | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine