Details of the Drug

General Information of Drug (ID: DMK0PVC)

Drug Name

BOF-4272

Synonyms

Rac-8-[3-Methoxy-4-(phenylsulfinyl)phenyl]pyrazolo[1,5-a]-1,3,5-triazin-4-ol sodium salt hydrate

Indication

Disease Entry	ICD 11	Status	REF
Gout	FA25	Discontinued in Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

388.4

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

4

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

6

Chemical Identifiers

Formula: C18H13N4NaO3S
IUPAC Name: sodium;7-[4-(benzenesulfinyl)-3-methoxyphenyl]-1,3,9-triaza-5-azanidabicyclo[4.3.0]nona-3,6,8-trien-2-one
Canonical SMILES: COC1=C(C=CC(=C1)C2=C3[N-]C=NC(=O)N3N=C2)S(=O)C4=CC=CC=C4.[Na+]
InChI: InChI=1S/C18H14N4O3S.Na/c1-25-15-9-12(14-10-21-22-17(14)19-11-20-18(22)23)7-8-16(15)26(24)13-5-3-2-4-6-13;/h2-11H,1H3,(H,19,20,21,23);/q;+1/p-1
InChIKey: FRSOALVXQKHLLF-UHFFFAOYSA-M

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Xanthine dehydrogenase/oxidase (XDH)	TT7RJY8	XDH_HUMAN	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800002649)
2	Enantioselective uptake of BOF-4272, a xanthine oxidase inhibitor with a chiral sulfoxide, by isolated rat hepatocytes. Yakugaku Zasshi. 2001 Dec;121(12):989-94.