Compound Detail
CHEMBL536953
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Basic Information
| ChEMBL ID | CHEMBL536953 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HREWBDQQRCHSNJ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1188629 |
| Active Moiety | CHEMBL1188629 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
123.2
MW (Da)
0.12
ALogP
3
HBA
2
HBD
64.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Diamine oxidase [copper-containing] CHEMBL2118 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Amine oxidase [copper-containing] 3 CHEMBL3437 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Diamine oxidase [copper-containing] | IC50 | = | 300.0 | nM | 6.52 | Inhibition of putrescine binding to against Diamine oxidase of porcine kidney | 15689151 |
| Amine oxidase [copper-containing] 3 | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of benzylamine binding to Benzylamine oxidase of porcine serum | 15689151 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15689151 | 10.1021/jm0408316 | Amine oxidase [flavin-containing] B | 1 |
| 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 |
Data from ChEMBL 36 via Core Engine