GCP

PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER



Chemical Component Summary

NamePHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER
Identifiers[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]methylphosphonic acid
FormulaC11 H18 N5 O13 P3
Molecular Weight521.208
TypeNON-POLYMER
Isomeric SMILESc1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N
InChIInChI=1S/C11H18N5O13P3/c12-11-14-8-5(9(19)15-11)13-2-16(8)10-7(18)6(17)4(28-10)1-27-32(25,26)29-31(23,24)3-30(20,21)22/h2,4,6-7,10,17-18H,1,3H2,(H,23,24)(H,25,26)(H2,20,21,22)(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1
InChIKeyPHBDHXOBFUBCJD-KQYNXXCUSA-N

Chemical Details

Formal Charge0
Atom Count50
Chiral Atom Count6
Bond Count52
Aromatic Bond Count10

Drug Info: DrugBank

DrugBank IDDB03725 
Name5'-Guanylylmethylenebisphosphonate
Groups experimental
Synonyms
  • 5'-Guanosyl-methylene-triphosphate
  • GppCp
  • 5'-Guanylylmethylenediphosphonate
  • 5'-Guanylylmethylenebisphosphonate
  • guanosine 5'-[beta,gamma-methylene]triphosphate
Categories
  • Anti-Infective Agents
  • Antiviral Agents
  • Guanine Nucleotides
  • Heterocyclic Compounds, Fused-Ring
  • Nucleic Acids, Nucleotides, and Nucleosides
CAS number13912-93-1

Drug Targets

NameTarget SequencePharmacological ActionActions
Phosphoenolpyruvate carboxykinase, cytosolic [GTP]MPPQLQNGLNLSAKVVQGSLDSLPQAVREFLENNAELCQPDHIHICDGSE...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 135398731, 93082, 5280942
ChEBI CHEBI:1963