FWD

2-AMINO-3-(5-FLUORO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID

Created: 2002-09-20
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count23
Chiral Atom Count1
Bond Count23
Aromatic Bond Count0
2D diagram of FWD
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Chemical Component Summary

Name2-AMINO-3-(5-FLUORO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID
SynonymsFLUORO-WILLARDIINE
Systematic Name (OpenEye OEToolkits)(2S)-2-azanyl-3-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]propanoic acid
FormulaC7 H8 F N3 O4
Molecular Weight217.155
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=C(O)C(N)CN1C=C(F)C(=O)NC1=O
SMILESCACTVS3.385N[CH](CN1C=C(F)C(=O)NC1=O)C(O)=O
SMILESOpenEye OEToolkits1.7.6C1=C(C(=O)NC(=O)N1CC(C(=O)O)N)F
Canonical SMILESCACTVS3.385 N[C@@H](CN1C=C(F)C(=O)NC1=O)C(O)=O
Canonical SMILESOpenEye OEToolkits1.7.6 C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)F
InChIInChI1.03 InChI=1S/C7H8FN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/m0/s1
InChIKeyInChI1.03 DBWPFHJYSTVBCZ-BYPYZUCNSA-N

Drug Info: DrugBank

DrugBank IDDB02966 
NameFluoro-Willardiine
Groups experimental
SynonymsFluoro-Willardiine

Drug Targets

NameTarget SequencePharmacological ActionActions
Glutamate receptor 2MQKIMHISVLLSPVLWGLIFGVSSNSIQIGGLFPRGADQEYSAFRVGMVQ...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
Pharos CHEMBL123132
PubChem 126569
ChEMBL CHEMBL123132
ChEBI CHEBI:42549