Compound Detail
CHEMBL434695
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Basic Information
| ChEMBL ID | CHEMBL434695 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XHVFPHBAWNGYKX-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
252.3
MW (Da)
3.37
ALogP
3
HBA
0
HBD
39.4
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 7.19 | 7.19 | 64.6 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2993 | IC50 | 7.07 | 7.07 | 85.1 | 2 |
| Amine oxidase [flavin-containing] A CHEMBL3358 | IC50 | 6.41 | 6.41 | 389.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 64.57 | nM | 7.19 | Inhibition of human supersomes MAOB | 17034132 |
| Amine oxidase [flavin-containing] B | IC50 | = | 85.11 | nM | 7.07 | Inhibitory effect on Monoamine oxidase B, SD on IC50 values < 10% | 11123983 |
| Amine oxidase [flavin-containing] B | IC50 | = | 85.11 | nM | 7.07 | Inhibition of rat brain MAOB | 17034132 |
| Amine oxidase [flavin-containing] A | IC50 | = | 389.05 | nM | 6.41 | Inhibitory effect on monoamine oxidase A, SD on IC50 values < 10% | 11123983 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17034132 | 10.1021/jm060441e | Amine oxidase [flavin-containing] B | 2 |
| 11123983 | 10.1021/jm001028o | Amine oxidase [flavin-containing] A | 1 |
| 11123983 | 10.1021/jm001028o | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine