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Compound Detail

CHEMBL125389

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COc1cccc2c1C(=O)c1c(cccc1OC)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL125389
Phase Preclinical
Structure Type MOL
InChI Key BMEBRVCQDOADIN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

254.3
MW (Da)
2.84
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14O3
MW 254.28
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.34

Literature References

PubMed DOI Target Context # Activities
9371243 10.1021/jm970292n HaCaT 2
9371243 10.1021/jm970292n No relevant target 1
9371243 10.1021/jm970292n Molecular identity unknown 1
9371243 10.1021/jm970292n Arachidonate 5-lipoxygenase 1

Data from ChEMBL 36 via Core Engine