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Compound Detail

CHEMBL470267

FUSTIN
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O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O

Basic Information

ChEMBL ID CHEMBL470267
Name FUSTIN
Phase Preclinical
Structure Type MOL
InChI Key FNUPUYFWZXZMIE-LSDHHAIUSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

288.2
MW (Da)
1.48
ALogP
6
HBA
4
HBD
107.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H12O6
MW 288.25
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 2.11

Activity Summary

IC50 1 meas. best 6.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.17 6.17 671.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 671.0 nM 6.17 Inhibition of beef heart mitochondrial NADH oxidase assessed per mg of protein 2959755

Literature References

PubMed DOI Target Context # Activities
2959755 10.1021/np50051a014 Unchecked 1
3379415 10.1021/np50056a030 Xanthine dehydrogenase/oxidase 1
1479375 10.1021/np50089a001 Unchecked 1
8882428 10.1021/np960057s Monocyte 1
2607357 10.1021/np50065a011 Unchecked 1
- 10.1007/s00044-007-9060-5 Radical scavenging activity 1
24630560 10.1016/j.bmcl.2014.02.039 Aromatase 1
28793973 10.1016/j.ejmech.2017.07.034 K562 1

Data from ChEMBL 36 via Core Engine