Compound Detail
CHEMBL242835
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Basic Information
| ChEMBL ID | CHEMBL242835 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFADNUHMEURSIM-GFCCVEGCSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
318.8
MW (Da)
2.88
ALogP
3
HBA
2
HBD
64.3
PSA (Ų)
0.82
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2993 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL3358 | IC50 | 4.14 | 4.14 | 72000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 800.0 | nM | 6.1 | Inhibition of rat brain mitochondria MAOB by radioenzymatic assay | 17824599 |
| Amine oxidase [flavin-containing] A | IC50 | = | 72000.0 | nM | 4.14 | Inhibition of rat brain mitochondria MAOA by radioenzymatic assay | 17824599 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17824599 | 10.1021/jm070725e | Amine oxidase [flavin-containing] A | 1 |
| 17824599 | 10.1021/jm070725e | Amine oxidase [flavin-containing] B | 1 |
| 17824599 | 10.1021/jm070725e | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine