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Compound Detail

CHEMBL2164986

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C/C(=C/Cc1c(O)ccc(C(=O)/C=C/c2ccc(O)cc2)c1O)CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2164986
Phase Preclinical
Structure Type MOL
InChI Key GDGQOBRQTUPPDO-ZMOGLXNNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

340.4
MW (Da)
3.18
ALogP
5
HBA
4
HBD
98.0
PSA (Ų)
0.37
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 C20H20O5
MW 340.38
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 1.60

Literature References

PubMed DOI Target Context # Activities
23113717 10.1021/np300576w Unchecked 1
30227999 10.1016/j.bmc.2018.09.010 Nuclear factor erythroid 2-related factor 2 1

Data from ChEMBL 36 via Core Engine