Compound Detail
CHEMBL550689
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL550689 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QDRPYBDLSSAHNL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
18
Publications
0
Known Names
Molecular Properties
409.7
MW (Da)
3.26
ALogP
3
HBA
7
HBD
121.8
PSA (Ų)
0.09
QED
1
Ro5 Violations
20
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 10.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyamine oxidase 1 CHEMBL6108 | Ki | 10.1 | 10.1 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyamine oxidase 1 | Ki | = | 0.08 | nM | 10.1 | Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method | 19591488 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19591488 | 10.1021/jm900371z | HeLa | 7 |
| 30265809 | 10.1021/acs.jmedchem.8b00619 | Pseudomonas aeruginosa | 5 |
| 30265809 | 10.1021/acs.jmedchem.8b00619 | Escherichia coli | 5 |
| 30265809 | 10.1021/acs.jmedchem.8b00619 | Acinetobacter baumannii | 5 |
| 19591488 | 10.1021/jm900371z | NON-PROTEIN TARGET | 4 |
| 19650630 | 10.1021/jm900760k | Candida albicans | 4 |
| 19591488 | 10.1021/jm900371z | U373 MG | 3 |
| 19650630 | 10.1021/jm900760k | Candida parapsilosis | 3 |
| 19650630 | 10.1021/jm900760k | Pichia kudriavzevii | 2 |
| 30265809 | 10.1021/acs.jmedchem.8b00619 | Erythrocyte | 1 |
| 19591488 | 10.1021/jm900371z | Polyamine oxidase 1 | 1 |
| 30265809 | 10.1021/acs.jmedchem.8b00619 | Klebsiella pneumoniae | 1 |
| 30265809 | 10.1021/acs.jmedchem.8b00619 | Streptococcus pyogenes | 1 |
| 30265809 | 10.1021/acs.jmedchem.8b00619 | Staphylococcus aureus | 1 |
| 30265809 | 10.1021/acs.jmedchem.8b00619 | Enterococcus faecalis | 1 |
| 30265809 | 10.1021/acs.jmedchem.8b00619 | Bacillus spizizenii | 1 |
| 19650630 | 10.1021/jm900760k | Candida tropicalis | 1 |
| 19650630 | 10.1021/jm900760k | Nakaseomyces glabratus | 1 |
Data from ChEMBL 36 via Core Engine