Compound Detail
CHEMBL514297
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Basic Information
| ChEMBL ID | CHEMBL514297 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RNIPSPODSCRMSE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
312.8
MW (Da)
4.43
ALogP
2
HBA
0
HBD
32.7
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL3254 | IC50 | 6.7 | 6.7 | 199.5 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2756 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | IC50 | = | 199.53 | nM | 6.7 | Inhibition of bovine mitochondrial MAOA | 18281126 |
| Amine oxidase [flavin-containing] B | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of bovine mitochondrial MAOB | 18281126 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18281126 | 10.1016/j.ejmech.2007.12.026 | Amine oxidase [flavin-containing] A | 1 |
| 18281126 | 10.1016/j.ejmech.2007.12.026 | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine