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Compound Detail

CHEMBL4586894

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Cc1ccc(-c2cc(=O)c3c(ccc4ccccc43)o2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4586894
Phase Preclinical
Structure Type MOL
InChI Key RCJBVSDMTQRCFC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

286.3
MW (Da)
4.92
ALogP
2
HBA
0
HBD
30.2
PSA (Ų)
0.46
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H14O2
MW 286.33
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness 0.28

Literature References

PubMed DOI Target Context # Activities
30931089 10.1039/C8MD00512E Xanthine dehydrogenase/oxidase 1
30931089 10.1039/C8MD00512E No relevant target 1

Data from ChEMBL 36 via Core Engine