Compound Detail
CHEMBL4285597
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Basic Information
| ChEMBL ID | CHEMBL4285597 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BMQFDGDDMHIWCN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
341.2
MW (Da)
5.92
ALogP
2
HBA
0
HBD
30.2
PSA (Ų)
0.40
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.14 | 9.14 | 0.7 | 1 |
| Xanthine dehydrogenase/oxidase CHEMBL3649 | IC50 | 4.73 | 4.73 | 18580.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.73 | nM | 9.14 | Inhibition of porcine CEase using para-nitrophenyl butyrate as substrate preincu... | 30108939 |
| Xanthine dehydrogenase/oxidase | IC50 | = | 18580.0 | nM | 4.73 | Inhibition of bovine milk xanthine oxidase using xanthine as substrate preincuba... | 30931089 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30108939 | 10.1039/C7MD00565B | Unchecked | 3 |
| 30931089 | 10.1039/C8MD00512E | Xanthine dehydrogenase/oxidase | 1 |
| 30931089 | 10.1039/C8MD00512E | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine