Compound Detail
CHEMBL537628
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL537628 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MJNVPXPGPUYYAL-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1188881 |
| Active Moiety | CHEMBL1188881 |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
219.3
MW (Da)
2.68
ALogP
3
HBA
2
HBD
50.9
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Diamine oxidase [copper-containing] CHEMBL2118 | IC50 | 4.75 | 4.75 | 18000.0 | 1 |
| Amine oxidase [copper-containing] 3 CHEMBL3437 | IC50 | 4.1 | 4.1 | 79000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Diamine oxidase [copper-containing] | IC50 | = | 18000.0 | nM | 4.75 | Inhibition of putrescine binding to against Diamine oxidase of porcine kidney | 15689151 |
| Amine oxidase [copper-containing] 3 | IC50 | = | 79000.0 | nM | 4.1 | 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 | Primary amine oxidase | 1 |
| 15689151 | 10.1021/jm0408316 | Peroxisomal primary amine oxidase | 1 |
Data from ChEMBL 36 via Core Engine