Compound Detail
CHEMBL111759
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Basic Information
| ChEMBL ID | CHEMBL111759 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VACJHYSOFQSYAC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
198.3
MW (Da)
0.81
ALogP
2
HBA
4
HBD
73.9
PSA (Ų)
0.22
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyamine oxidase 1 CHEMBL6108 | Ki | 7.82 | 7.82 | 15.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyamine oxidase 1 | Ki | = | 15.0 | nM | 7.82 | Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method | 19591488 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10576697 | 10.1016/s0960-894x(99)00569-7 | Rattus norvegicus | 6 |
| 18465847 | 10.1021/jm8001636 | Mus musculus | 4 |
| 19591488 | 10.1021/jm900371z | Polyamine oxidase 1 | 1 |
Data from ChEMBL 36 via Core Engine