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Compound Detail

CHEMBL571877

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COc1cc(O)c(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)c(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL571877
Phase Preclinical
Structure Type MOL
InChI Key BEDDITQSLNWAOP-VOTSOKGWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

374.4
MW (Da)
3.33
ALogP
7
HBA
1
HBD
83.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H22O7
MW 374.39
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.63

Literature References

PubMed DOI Target Context # Activities
22449016 10.1021/jm2016528 Broad substrate specificity ATP-binding cassette transporter ABCG2 2
33006891 10.1021/acs.jnatprod.0c00728 Unchecked 2
19883086 10.1021/jm901278z Unchecked 1
33006891 10.1021/acs.jnatprod.0c00728 Neutrophil 1
32208222 10.1016/j.ejmech.2020.112216 RAW264.7 1

Data from ChEMBL 36 via Core Engine