Details of the Drug

General Information of Drug (ID: DMSYLIF)

Drug Name
Fosfluridine tidoxil
Synonyms Fosfluridine; HDP-99-0006; 5-fluorouridine prodrug, Heidelberg Pharma
Indication
Disease Entry ICD 11 Status REF
Keratosis ED56 Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 4 Molecular Weight (mw) 740.9
Logarithm of the Partition Coefficient (xlogp) 7.5
Rotatable Bond Count (rotbonds) 30
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 12
Chemical Identifiers
Formula
C34H62FN2O10PS
IUPAC Name
(2-decoxy-3-dodecylsulfanylpropyl) [(2R,3S,4R,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
Canonical SMILES
CCCCCCCCCCCCSCC(COP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C(=O)NC2=O)F)O)O)OCCCCCCCCCC
InChI
InChI=1S/C34H62FN2O10PS/c1-3-5-7-9-11-13-14-16-18-20-22-49-26-27(44-21-19-17-15-12-10-8-6-4-2)24-45-48(42,43)46-25-29-30(38)31(39)33(47-29)37-23-28(35)32(40)36-34(37)41/h23,27,29-31,33,38-39H,3-22,24-26H2,1-2H3,(H,42,43)(H,36,40,41)/t27?,29-,30-,31-,33-/m1/s1
InChIKey
LBBDGLOPGRGFDO-FKJRLRTPSA-N
Cross-matching ID
PubChem CID
9875280
CAS Number
174638-15-4
TTD ID
D03BTP

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Candida Thymidylate synthase (Candi TMP1) TTU6BFZ TYSY_CANAL 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 800019549)
2 Selective protection by uridine of growth inhibition by 5-fluorouracil (5FU) mediated by 5FU incorporation into RNA, but not the thymidylate synthase mediated growth inhibition by 5FU-leucovorin. Nucleosides Nucleotides Nucleic Acids. 2008 Jun;27(6):733-9.