Compound Detail
CHEMBL124935
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Basic Information
| ChEMBL ID | CHEMBL124935 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GCMBFNZCNIURJG-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
303.3
MW (Da)
3.26
ALogP
5
HBA
0
HBD
86.0
PSA (Ų)
0.42
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 8.08 | 8.08 | 8.3 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2993 | IC50 | 6.3 | 6.3 | 500.0 | 3 |
| Amine oxidase [flavin-containing] A CHEMBL3358 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 8.318 | nM | 8.08 | Inhibition of human supersomes MAOB | 17034132 |
| Amine oxidase [flavin-containing] B | IC50 | = | 500.0 | nM | 6.3 | Ability to inhibit Monoamine oxidase B enzyme | 7562919 |
| Amine oxidase [flavin-containing] B | IC50 | = | 501.19 | nM | 6.3 | Inhibitory activity against Monoamine oxidase B from rat brain mitochondria | 9748356 |
| Amine oxidase [flavin-containing] B | IC50 | = | 501.19 | nM | 6.3 | Inhibition of rat brain MAOB | 17034132 |
| Amine oxidase [flavin-containing] A | IC50 | = | 25000.0 | nM | 4.6 | Ability to inhibit Monoamine oxidase A enzyme | 7562919 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9748356 | 10.1021/jm981005y | No relevant target | 3 |
| 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 |
| 9748356 | 10.1021/jm981005y | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine