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]
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
PubChem CID
23698229
CAS Number
142181-44-0
TTD ID
D0B8SC

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]
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.