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Compound Detail

CHEMBL125502

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CCCCc1ccc2c(c1O)C(=O)c1c(O)cccc1C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL125502
Phase Preclinical
Structure Type MOL
InChI Key DLRVAHCNVVWDMI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

282.3
MW (Da)
3.58
ALogP
3
HBA
2
HBD
57.5
PSA (Ų)
0.77
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 C18H18O3
MW 282.34
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 1.09

Literature References

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

Data from ChEMBL 36 via Core Engine