Compound Detail
CHEMBL456013
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Basic Information
| ChEMBL ID | CHEMBL456013 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZDZASCUBDMUTSR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
241.3
MW (Da)
3.16
ALogP
2
HBA
1
HBD
35.2
PSA (Ų)
0.87
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2993 | Ki | 6.15 | 6.15 | 710.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL3358 | Ki | 5.47 | 5.47 | 3420.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | Ki | = | 710.0 | nM | 6.15 | Inhibition of MAOB in rat brain mitochondria | 19243954 |
| Amine oxidase [flavin-containing] A | Ki | = | 3420.0 | nM | 5.47 | Inhibition of MAOA in rat brain mitochondria | 19243954 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19243954 | 10.1016/j.bmc.2009.01.074 | Amine oxidase [flavin-containing] A | 1 |
| 19243954 | 10.1016/j.bmc.2009.01.074 | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine