Compound Detail
CHEMBL145760
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Basic Information
| ChEMBL ID | CHEMBL145760 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZQQMCPMRGQMXQX-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
296.3
MW (Da)
1.91
ALogP
6
HBA
1
HBD
73.1
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2993 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL3358 | IC50 | 4.19 | 4.19 | 64000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 2.0 | nM | 8.7 | Inhibition of human MAO-B | 29335210 |
| Amine oxidase [flavin-containing] B | IC50 | = | 30.0 | nM | 7.52 | In vitro inhibitory activity against rat brain Monoamine oxidase B | 7490728 |
| Amine oxidase [flavin-containing] A | IC50 | = | 64000.0 | nM | 4.19 | In vitro inhibitory activity against rat brain Monoamine oxidase A | 7490728 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7490728 | 10.1021/jm00024a006 | Amine oxidase [flavin-containing] B | 6 |
| 7490728 | 10.1021/jm00024a006 | Amine oxidase [flavin-containing] A | 4 |
| 7490728 | 10.1021/jm00024a006 | Unchecked | 1 |
| 29335210 | 10.1016/j.ejmech.2018.01.003 | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine