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Compound Detail

CHEMBL46448

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COc1ccc(Cc2ccc3c(c2O)C(=O)c2c(O)cccc2C3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL46448
Phase Preclinical
Structure Type MOL
InChI Key WIJKMGOPOWYODA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

346.4
MW (Da)
3.83
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18O4
MW 346.38
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness 0.76

Literature References

PubMed DOI Target Context # Activities
8201600 10.1021/jm00037a017 Unchecked 2
8201600 10.1021/jm00037a017 Arachidonate 5-lipoxygenase 1
8201600 10.1021/jm00037a017 No relevant target 1

Data from ChEMBL 36 via Core Engine