Compound Detail
CHEMBL417844
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Basic Information
| ChEMBL ID | CHEMBL417844 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IKSQCMLJDHRWOA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
192.3
MW (Da)
1.63
ALogP
2
HBA
2
HBD
24.1
PSA (Ų)
0.43
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisomal N(1)-acetyl-spermine/spermidine oxidase CHEMBL2105 | Ki | 7.05 | 7.05 | 90.0 | 1 |
| Peroxisomal N(1)-acetyl-spermine/spermidine oxidase CHEMBL3408 | Ki | 5.77 | 5.77 | 1700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisomal N(1)-acetyl-spermine/spermidine oxidase | Ki | = | 90.0 | nM | 7.05 | Inhibitory activity measured as apparent dissociation constant against Polyamine... | 3965702 |
| Peroxisomal N(1)-acetyl-spermine/spermidine oxidase | Ki | = | 1700.0 | nM | 5.77 | Tested for in vitro binding affinity against polyamine oxidase after intraperito... | 2329556 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3965702 | 10.1021/jm00379a001 | Peroxisomal N(1)-acetyl-spermine/spermidine oxidase | 5 |
| 2329556 | 10.1021/jm00167a014 | Peroxisomal N(1)-acetyl-spermine/spermidine oxidase | 3 |
| 2329556 | 10.1021/jm00167a014 | ADMET | 1 |
| 3965702 | 10.1021/jm00379a001 | Amine oxidase [flavin-containing] A | 1 |
| 3965702 | 10.1021/jm00379a001 | Diamine oxidase-like protein 2 | 1 |
Data from ChEMBL 36 via Core Engine