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Compound Detail

CHEMBL571087

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COc1cc(O)c(C(=O)/C=C/c2ccc(OC)c(O)c2)c(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL571087
Phase Preclinical
Structure Type MOL
InChI Key WMOWJHFPSNZXSK-GQCTYLIASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

330.3
MW (Da)
3.02
ALogP
6
HBA
2
HBD
85.2
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H18O6
MW 330.34
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.76

Literature References

PubMed DOI Target Context # Activities
30852084 10.1016/j.bmcl.2019.02.028 GroEL/GroES 2
19883086 10.1021/jm901278z Unchecked 1
32208222 10.1016/j.ejmech.2020.112216 RAW264.7 1

Data from ChEMBL 36 via Core Engine