Compound Detail
CHEMBL56007
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Basic Information
| ChEMBL ID | CHEMBL56007 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CDMBQEVEANEBOJ-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
1.41
ALogP
5
HBA
1
HBD
75.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.52
Ki 1 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL3358 | Ki | 7.1 | 7.1 | 80.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL3358 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | Ki | = | 80.0 | nM | 7.1 | Ex vivo value for inhibition of MAO A of rats sacrificed 2 hr after po administr... | 8627609 |
| Amine oxidase [flavin-containing] A | IC50 | = | 300.0 | nM | 6.52 | Inhibitory concentration against rat brain mitochondrial monoamine oxidase A | 8627609 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8627609 | 10.1021/jm950595m | Amine oxidase [flavin-containing] A | 3 |
| 8627609 | 10.1021/jm950595m | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine