Compound Detail
CHEMBL361891
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Basic Information
| ChEMBL ID | CHEMBL361891 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKAIAGHGMNUUAL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
214.3
MW (Da)
1.91
ALogP
3
HBA
1
HBD
48.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL3358 | Ki | 7.02 | 7.02 | 95.0 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2039 | Ki | 4.38 | 4.38 | 42000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | Ki | = | 95.0 | nM | 7.02 | Inhibitory concentration for rat Monoamine oxidase A | 15974574 |
| Amine oxidase [flavin-containing] B | Ki | = | 42000.0 | nM | 4.38 | Inhibitory concentration for human Monoamine oxidase B | 15974574 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15974574 | 10.1021/jm050172c | Amine oxidase [flavin-containing] A | 1 |
| 15974574 | 10.1021/jm050172c | Amine oxidase [flavin-containing] B | 1 |
| 15974574 | 10.1021/jm050172c | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine