Compound Detail
CHEMBL160347
BROFAROMINE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL160347 |
| Name | BROFAROMINE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | WZXHSWVDAYOFPE-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
3
Known Names
Molecular Properties
310.2
MW (Da)
3.67
ALogP
3
HBA
1
HBD
34.4
PSA (Ų)
0.92
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 3 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL3358 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 4.63 | 4.63 | 23400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | IC50 | = | 5.0 | nM | 8.3 | In vitro inhibitory against monoamine oxidase A (MAO-A) in rat brain homogenate. | - |
| Amine oxidase [flavin-containing] A | IC50 | = | 180.0 | nM | 6.75 | Compound was tested for inhibition of monoamine oxidase-A (MAO-A). | - |
| Amine oxidase [flavin-containing] B | IC50 | = | 23400.0 | nM | 4.63 | Compound was tested for inhibition of monoamine oxidase-B (MAO-B). | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00072-8 | Amine oxidase [flavin-containing] A | 5 |
| - | 10.1016/0960-894X(96)00072-8 | Amine oxidase [flavin-containing] B | 5 |
| - | 10.1016/0960-894X(96)00072-8 | Acetylcholinesterase | 4 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 4 |
| - | 10.6019/CHEMBL4651402 | Vero C1008 | 2 |
| - | 10.1016/S0960-894X(01)80328-0 | Amine oxidase [flavin-containing] A | 1 |
| - | 10.1016/S0960-894X(01)80328-0 | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine