Compound Detail
CHEMBL173782
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Basic Information
| ChEMBL ID | CHEMBL173782 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IINWDBQBGSUBQT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
186.3
MW (Da)
1.07
ALogP
3
HBA
2
HBD
55.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisomal N(1)-acetyl-spermine/spermidine oxidase CHEMBL2105 | Ki | 6.75 | 6.75 | 180.0 | 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 | = | 180.0 | nM | 6.75 | Ability to inhibit the deacetylation of [acetyl-3H]-N8-Acetylspermidine deacetyl... | 2709384 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2709384 | 10.1021/jm00125a010 | Peroxisomal N(1)-acetyl-spermine/spermidine oxidase | 1 |
Data from ChEMBL 36 via Core Engine