Chemical Component Summary

Name(E)-5-(2-BROMOVINYL)-2'-DEOXYURIDINE-5'-MONOPHOSPHATE
SynonymsBVDU-MP
Identifiers[(2R,3S,5R)-5-[5-[(E)-2-bromoethenyl]-2,4-dioxo-pyrimidin-1-yl]-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate
FormulaC11 H14 Br N2 O8 P
Molecular Weight413.115
TypeDNA LINKING
Isomeric SMILESC1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)\C=C\Br)COP(=O)(O)O)O
InChIInChI=1S/C11H14BrN2O8P/c12-2-1-6-4-14(11(17)13-10(6)16)9-3-7(15)8(22-9)5-21-23(18,19)20/h1-2,4,7-9,15H,3,5H2,(H,13,16,17)(H2,18,19,20)/b2-1+/t7-,8+,9+/m0/s1
InChIKeyLKWCVKAHHUJPQO-PIXDULNESA-N

Chemical Details

Formal Charge0
Atom Count37
Chiral Atom Count3
Bond Count38
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB04438 
NameBrivudine monophosphate
Groups experimental
Synonyms
  • BVDU-MP
  • Brivudine monophosphate
  • Bvdu 5'-monophosphate
CAS number80860-82-8

Drug Targets

NameTarget SequencePharmacological ActionActions
Thymidine kinaseMSTDKTDVKMGVLRIYLDGAYGIGKTTAAEEFLHHFAITPNRILLIGEPL...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 6505368
ChEMBL CHEMBL1231519