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Compound Detail

CHEMBL296298

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COc1ccc(Cc2ccc3c(c2O)C(=O)c2c(O)cccc2C3)c(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL296298
Phase Preclinical
Structure Type MOL
InChI Key XGSVKTIOLOESJM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

376.4
MW (Da)
3.84
ALogP
5
HBA
2
HBD
76.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20O5
MW 376.41
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness 0.71

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 HaCaT 1
8201600 10.1021/jm00037a017 No relevant target 1

Data from ChEMBL 36 via Core Engine