Compound Detail
CHEMBL559376
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Basic Information
| ChEMBL ID | CHEMBL559376 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DKIRVLAKYJAOJV-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1197103 |
| Active Moiety | CHEMBL1197103 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
259.4
MW (Da)
3.23
ALogP
3
HBA
1
HBD
42.1
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [copper-containing] 3 CHEMBL3437 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [copper-containing] 3 | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of benzylamine binding to Benzylamine oxidase of porcine serum | 15689151 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15689151 | 10.1021/jm0408316 | Diamine oxidase [copper-containing] | 1 |
| 15689151 | 10.1021/jm0408316 | Amine oxidase [copper-containing] 3 | 1 |
| 15689151 | 10.1021/jm0408316 | Amine oxidase [flavin-containing] A | 1 |
| 15689151 | 10.1021/jm0408316 | Amine oxidase [flavin-containing] B | 1 |
| 15689151 | 10.1021/jm0408316 | Peroxisomal primary amine oxidase | 1 |
Data from ChEMBL 36 via Core Engine