Details of the Drug

General Information of Drug (ID: DM4Q5TX)

Drug Name
6-fluoro-5-phenylpyrimidine-2,4(1H,3H)-dione
Synonyms CHEMBL395907; BDBM20075; 6-Fluoro-5-phenylpyrimidine-2,4(1H,3H)-dione, 21
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 206.17
Logarithm of the Partition Coefficient (xlogp) 1
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C10H7FN2O2
IUPAC Name
6-fluoro-5-phenyl-1H-pyrimidine-2,4-dione
Canonical SMILES
C1=CC=C(C=C1)C2=C(NC(=O)NC2=O)F
InChI
InChI=1S/C10H7FN2O2/c11-8-7(6-4-2-1-3-5-6)9(14)13-10(15)12-8/h1-5H,(H2,12,13,14,15)
InChIKey
BMLADZLRZDTUAA-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
23648527
TTD ID
D0E9PL

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Thymidine phosphorylase (TYMP) TTO0IB8 TYPH_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Thymidine phosphorylase (TYMP) DTT TYMP 6.50E-01 -0.03 -0.25
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Discovery of 5-substituted-6-chlorouracils as efficient inhibitors of human thymidine phosphorylase. J Med Chem. 2007 Nov 29;50(24):6016-23.