Details of the Drug

General Information of Drug (ID: DM9ARQ1)

• Drug Name: GDP-l-fucose
• Synonyms: GDP-L-fucose; GDP-fucose; Gdp fucose; guanosine diphosphate fucose; (6-deoxy-beta-l-galactopyranosyl) ester; AC1L96W5; CHEBI:17009; GTPL4578; [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [hydroxy-[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphosphoryl] hydrogen phosphate; guanosine 5'-[3-(6-deoxy-L-galactopyranosyl) dihydrogen diphosphate]
• #Ro5 Violations (Lipinski): 4:
  Molecular Weight (mw); 589.3
  Logarithm of the Partition Coefficient (xlogp); -5.7
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 9
  Hydrogen Bond Acceptor Count (hbondacc); 17
• Chemical Identifiers:
  Formula: C16H25N5O15P2
  IUPAC Name: [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl] hydrogen phosphate
  Canonical SMILES: CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=NC4=C3N=C(NC4=O)N)O)O)O)O)O
  InChI: LQEBEXMHBLQMDB-QIXZNPMTSA-N
  InChIKey: 1S/C16H25N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,7-11,14-15,22-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/t4-,5+,7+,8+,9+,10+,11-,14+,15?/m0/s1
• Cross-matching ID:
  PubChem CID: 135412609
  ChEBI ID: CHEBI:17009
  CAS Number: 15839-70-0
  INTEDE ID: DR2095

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Fucosyltransferase X (FUT10)	DEP8X02	FUT10_HUMAN	Substrate	[1]
Fucosyltransferase XI (FUT11)	DERG61P	FUT11_HUMAN	Substrate	[1]

References

• [1] Activity, splice variants, conserved peptide motifs, and phylogeny of two new alpha1,3-fucosyltransferase families (FUT10 and FUT11). J Biol Chem. 2009 Feb 13;284(7):4723-38.