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Compound Detail

CHEMBL3120617

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O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@]2(C(=O)O)C[C@@H](O)[C@@H](O)[C@@H]1O2

Basic Information

ChEMBL ID CHEMBL3120617
Phase Preclinical
Structure Type MOL
InChI Key VZDAUTWTNKAFSV-NIQOAUNZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

382.3
MW (Da)
-0.66
ALogP
9
HBA
5
HBD
163.0
PSA (Ų)
0.25
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C17H18O10
MW 382.32
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness 2.20

Literature References

PubMed DOI Target Context # Activities
24471493 10.1021/np400780n HepG2 2
24471493 10.1021/np400780n RAW264.7 1
24471493 10.1021/np400780n Oxysterols receptor LXR-alpha 1
24471493 10.1021/np400780n Peroxisome proliferator-activated receptor gamma 1
24471493 10.1021/np400780n Peroxisome proliferator-activated receptor alpha 1
24471493 10.1021/np400780n Growth/differentiation factor 15 1
24471493 10.1021/np400780n Nitric oxide synthase, inducible 1
24471493 10.1021/np400780n Unchecked 1

Data from ChEMBL 36 via Core Engine