Compound Detail
CHEMBL3330342
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Basic Information
| ChEMBL ID | CHEMBL3330342 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QCKAOUJBZVYJLI-RCPFAERMSA-N |
| Parent Compound | CHEMBL3545676 |
| Active Moiety | CHEMBL3545676 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
223.3
MW (Da)
3.11
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 5.08 | 5.08 | 8310.0 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 4.13 | 4.13 | 74300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | IC50 | = | 8310.0 | nM | 5.08 | Inhibition of human recombinant MAOA expressed in Pichia pastoris incubated for ... | 25173853 |
| Amine oxidase [flavin-containing] B | IC50 | = | 74300.0 | nM | 4.13 | Inhibition of human recombinant MAOB expressed in Pichia pastoris incubated for ... | 25173853 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25173853 | 10.1016/j.ejmech.2014.08.068 | Lysine-specific histone demethylase 1A | 2 |
| 25173853 | 10.1016/j.ejmech.2014.08.068 | Amine oxidase [flavin-containing] A | 1 |
| 25173853 | 10.1016/j.ejmech.2014.08.068 | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine