Compound Detail
CHEMBL18504
ESUPRONE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL18504 |
| Name | ESUPRONE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | CHDGAVDQRSPBTA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
2
Known Names
Molecular Properties
282.3
MW (Da)
2.14
ALogP
5
HBA
0
HBD
73.6
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL3358 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2993 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | IC50 | = | 8.0 | nM | 8.1 | In vitro inhibitory against monoamine oxidase A (MAO-A) in rat brain homogenate. | - |
| Amine oxidase [flavin-containing] B | IC50 | = | 5000.0 | nM | 5.3 | In vitro inhibitory activity against monoamine oxidase B (MAO-B) in rat brain ho... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 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