Compound Detail
CHEMBL536484
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Basic Information
| ChEMBL ID | CHEMBL536484 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IUFAYMZNYIQLKY-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1188457 |
| Active Moiety | CHEMBL1188457 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
284.4
MW (Da)
0.84
ALogP
6
HBA
3
HBD
97.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [copper-containing] 3 CHEMBL3437 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
| Protein-lysine 6-oxidase CHEMBL2249 | 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 | = | 150.0 | nM | 6.82 | Inhibition of benzylamine binding to Benzylamine oxidase of porcine serum | 15689151 |
| Protein-lysine 6-oxidase | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of protein-bound lysine binding to Lysyl oxidase of porcine aorta | 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 | Protein-lysine 6-oxidase | 1 |
| 15689151 | 10.1021/jm0408316 | Amine oxidase [flavin-containing] B | 1 |
| 15689151 | 10.1021/jm0408316 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine