FEBUXOSTAT

Search structure
Synonyms:
Status: Approved (2009)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: M04AA03
UNII: 101V0R1N2E

Structure
InChI Key BQSJTQLCZDPROO-UHFFFAOYSA-N
Smile Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)O
InChI
InChI=1S/C16H16N2O3S/c1-9(2)8-21-13-5-4-11(6-12(13)7-17)15-18-10(3)14(22-15)16(19)20/h4-6,9H,8H2,1-3H3,(H,19,20)

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H16N2O3S
Molecular Weight 316.38
AlogP 3.72
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 83.21
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 22.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Xanthine dehydrogenase inhibitor DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 3-30 - 0-3 91-99
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 42900 - - -
Transporter Primary active transporter ATP-binding cassette ABCC subfamily
- 1900 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Gout 4 D006073 ClinicalTrials
Tumor Lysis Syndrome 3 D015275 ClinicalTrials
Cardiovascular Diseases 3 D002318 ClinicalTrials
Angina, Stable 2 D060050 ClinicalTrials
Kidney Diseases 2 D007674 ClinicalTrials
Hypertension 2 D006973 ClinicalTrials
Non-alcoholic Fatty Liver Disease 2 D065626 ClinicalTrials
Kidney Calculi 2 D007669 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 31596
ChEMBL CHEMBL1164729
DrugBank DB04854
DrugCentral 1137
EPA CompTox DTXSID8048650
FDA SRS 101V0R1N2E
Guide to Pharmacology 6817
PDB TEI
SureChEMBL SCHEMBL249339
ZINC ZINC000000005423
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