Compound Detail
CHEMBL328113
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Basic Information
| ChEMBL ID | CHEMBL328113 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FCDSLUDYBYEALA-RMKNXTFCSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
186.3
MW (Da)
1.43
ALogP
2
HBA
2
HBD
24.1
PSA (Ų)
0.41
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL3358 | IC50 | 5.1 | 5.1 | 7900.0 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2993 | IC50 | 4.99 | 4.99 | 10200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | IC50 | = | 7900.0 | nM | 5.1 | In vitro ability to inhibit Monoamine oxidase A activity in rat whole brain in v... | 11591508 |
| Amine oxidase [flavin-containing] B | IC50 | = | 10200.0 | nM | 4.99 | In vitro ability to inhibit Monoamine oxidase B activity in rat whole brain in v... | 11591508 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11591508 | 10.1016/s0960-894x(01)00549-2 | Mus musculus | 1 |
| 11591508 | 10.1016/s0960-894x(01)00549-2 | Amine oxidase [flavin-containing] A | 1 |
| 11591508 | 10.1016/s0960-894x(01)00549-2 | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine