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Compound Detail

CHEMBL1208027

XESTOQUINOL SULFATE
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C[C@@]12CCCc3coc(c31)C(=O)c1cc3c(O)ccc(OS(=O)(=O)O)c3cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1208027
Name XESTOQUINOL SULFATE
Phase Preclinical
Structure Type MOL
InChI Key QKHYRHPZLGLSHG-FQEVSTJZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

400.4
MW (Da)
3.51
ALogP
6
HBA
2
HBD
114.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H16O7S
MW 400.41
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness 2.12

Literature References

PubMed DOI Target Context # Activities
22938093 10.1021/np3002892 T47D 2
22938093 10.1021/np3002892 Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha 2
22938093 10.1021/np3002892 MDA-MB-231 2

Data from ChEMBL 36 via Core Engine