Compound Detail
CHEMBL560899
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Basic Information
| ChEMBL ID | CHEMBL560899 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RLGQMSMDYKBVHI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
491.8
MW (Da)
5.42
ALogP
3
HBA
7
HBD
107.8
PSA (Ų)
0.05
QED
2
Ro5 Violations
22
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyamine oxidase 1 CHEMBL6108 | Ki | 8.77 | 8.77 | 1.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyamine oxidase 1 | Ki | = | 1.7 | nM | 8.77 | Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method | 19591488 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19650630 | 10.1021/jm900760k | Candida albicans | 4 |
| 19650630 | 10.1021/jm900760k | Candida parapsilosis | 3 |
| 19650630 | 10.1021/jm900760k | Pichia kudriavzevii | 2 |
| 19591488 | 10.1021/jm900371z | Polyamine oxidase 1 | 1 |
| 19650630 | 10.1021/jm900760k | Nakaseomyces glabratus | 1 |
| 19650630 | 10.1021/jm900760k | Candida tropicalis | 1 |
Data from ChEMBL 36 via Core Engine