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Compound Detail

CHEMBL4572466

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C=C(C)C(O)Cc1c(-c2ccc(O)cc2O)oc2c(CC=C(C)C)c(O)cc(O)c2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4572466
Phase Preclinical
Structure Type MOL
InChI Key BRUZWKVDDZCMHK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

438.5
MW (Da)
4.27
ALogP
7
HBA
5
HBD
131.4
PSA (Ų)
0.36
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H26O7
MW 438.48
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness 2.30

Literature References

PubMed DOI Target Context # Activities
31255927 10.1016/j.ejmech.2019.06.034 RAW264.7 1

Data from ChEMBL 36 via Core Engine