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Compound Detail

CHEMBL4531767

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CC(C)=CCC1C(=O)c2c(O)cc3c(c2OC1c1ccc(O)cc1O)C=CC(C)(C)O3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4531767
Phase Preclinical
Structure Type MOL
InChI Key QSQBJRRFAIOANT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

422.5
MW (Da)
5.28
ALogP
6
HBA
3
HBD
96.2
PSA (Ų)
0.58
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H26O6
MW 422.48
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness 2.87

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