General Information of Drug (ID: DMEV0GO)

Drug Name
5-fluoro-6-[(2-aminoimidazol-1-yl)methyl]uracil
Synonyms CHEMBL1080896; 5-fluoro-6-[(2-aminoimidazol-1-yl)methyl]uracil
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) 225.18
Logarithm of the Partition Coefficient (xlogp) -1.3
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C8H8FN5O2
IUPAC Name
6-[(2-aminoimidazol-1-yl)methyl]-5-fluoro-1H-pyrimidine-2,4-dione
Canonical SMILES
C1=CN(C(=N1)N)CC2=C(C(=O)NC(=O)N2)F
InChI
InChI=1S/C8H8FN5O2/c9-5-4(12-8(16)13-6(5)15)3-14-2-1-11-7(14)10/h1-2H,3H2,(H2,10,11)(H2,12,13,15,16)
InChIKey
SFEMKOUUPCFITA-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44632008
TTD ID
D01DAQ

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 The role of phosphate in the action of thymidine phosphorylase inhibitors: Implications for the catalytic mechanism. Bioorg Med Chem Lett. 2010 Mar 1;20(5):1648-51.