Compound Detail
CHEMBL127983
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Basic Information
| ChEMBL ID | CHEMBL127983 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JOCNDLZDRNVPCH-UHFFFAOYSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
326.3
MW (Da)
4.37
ALogP
3
HBA
0
HBD
42.9
PSA (Ų)
0.52
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 8.27 | 7.66 | 5.4 | 2 |
| Amine oxidase [flavin-containing] B CHEMBL2993 | IC50 | 7.05 | 7.05 | 89.1 | 4 |
| Amine oxidase [flavin-containing] A CHEMBL3358 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 5.37 | nM | 8.27 | Inhibition of human supersomes MAOB | 17034132 |
| Amine oxidase [flavin-containing] B | IC50 | = | 90.0 | nM | 7.05 | Ability to inhibit Monoamine oxidase B enzyme | 7562919 |
| Amine oxidase [flavin-containing] B | IC50 | = | 90.0 | nM | 7.05 | Inhibitory concentration against Monoamine oxidase B was measured in baboon live... | 12467619 |
| Amine oxidase [flavin-containing] B | IC50 | = | 89.13 | nM | 7.05 | Inhibitory activity against Monoamine oxidase B from rat brain mitochondria | 9748356 |
| Amine oxidase [flavin-containing] B | IC50 | = | 89.13 | nM | 7.05 | Inhibition of rat brain MAOB | 17034132 |
| Amine oxidase [flavin-containing] B | IC50 | = | 90.0 | nM | 7.05 | Inhibition of rat brain MAO-B | 29335210 |
| Amine oxidase [flavin-containing] A | IC50 | = | 1000.0 | nM | 6.0 | Ability to inhibit Monoamine oxidase A enzyme | 7562919 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17034132 | 10.1021/jm060441e | Amine oxidase [flavin-containing] B | 2 |
| 7562919 | 10.1021/jm00019a018 | Amine oxidase [flavin-containing] A | 1 |
| 7562919 | 10.1021/jm00019a018 | Amine oxidase [flavin-containing] B | 1 |
| 12467619 | 10.1016/s0960-894x(02)00838-7 | Amine oxidase [flavin-containing] B | 1 |
| 9748356 | 10.1021/jm981005y | Amine oxidase [flavin-containing] B | 1 |
| 9748356 | 10.1021/jm981005y | No relevant target | 1 |
| 29335210 | 10.1016/j.ejmech.2018.01.003 | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine