Compound Detail
CHEMBL457235
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL457235 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYLJEMZEMKXFCE-AWEZNQCLSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
298.4
MW (Da)
4.22
ALogP
2
HBA
0
HBD
25.2
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2756 | Ki | 7.82 | 7.81 | 15.0 | 2 |
| Amine oxidase [flavin-containing] A CHEMBL3254 | Ki | 7.3 | 7.285 | 50.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | Ki | = | 15.0 | nM | 7.82 | Inhibition of bovine brain mitochondrial MAO-B by fluorometric assay | 18951803 |
| Amine oxidase [flavin-containing] B | Ki | = | 15.85 | nM | 7.8 | Inhibition of bovine brain mitochondrial MAO-B by fluorometric assay | 18951803 |
| Amine oxidase [flavin-containing] A | Ki | = | 50.12 | nM | 7.3 | Inhibition of bovine brain mitochondrial MAO-A by fluorometric assay | 18951803 |
| Amine oxidase [flavin-containing] A | Ki | = | 54.0 | nM | 7.27 | Inhibition of bovine brain mitochondrial MAO-A by fluorometric assay | 18951803 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18951803 | 10.1016/j.bmc.2008.09.072 | Amine oxidase [flavin-containing] A | 2 |
| 18951803 | 10.1016/j.bmc.2008.09.072 | Amine oxidase [flavin-containing] B | 2 |
| 18951803 | 10.1016/j.bmc.2008.09.072 | Unchecked | 1 |
| 21397504 | 10.1016/j.bmcl.2011.02.072 | Amine oxidase [flavin-containing] A | 1 |
Data from ChEMBL 36 via Core Engine