Compound Detail
CHEMBL287672
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Basic Information
| ChEMBL ID | CHEMBL287672 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MXBZDDOCCZCAAJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
235.4
MW (Da)
1.22
ALogP
3
HBA
3
HBD
36.1
PSA (Ų)
0.35
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisomal N(1)-acetyl-spermine/spermidine oxidase CHEMBL3408 | Ki | 5.52 | 5.52 | 3000.0 | 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 | = | 3000.0 | nM | 5.52 | Tested for in vitro binding affinity against polyamine oxidase after intraperito... | 2329556 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2329556 | 10.1021/jm00167a014 | Peroxisomal N(1)-acetyl-spermine/spermidine oxidase | 2 |
| 2329556 | 10.1021/jm00167a014 | L1210 | 1 |
| 2329556 | 10.1021/jm00167a014 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine