IWD

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

Created: 2002-09-18
Last modified:  2021-03-01

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Chemical Details

Formal Charge0
Atom Count23
Chiral Atom Count1
Bond Count23
Aromatic Bond Count6
2D diagram of IWD
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Chemical Component Summary

Name2-AMINO-3-(5-IODO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID
SynonymsIODO-WILLARDIINE
Systematic Name (OpenEye OEToolkits)(2S)-2-amino-3-(5-iodo-2,4-dioxo-pyrimidin-1-yl)propanoic acid
FormulaC7 H8 I N3 O4
Molecular Weight325.061
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(O)C(N)CN1C=C(I)C(=O)NC1=O
SMILESCACTVS3.341N[CH](CN1C=C(I)C(=O)NC1=O)C(O)=O
SMILESOpenEye OEToolkits1.5.0C1=C(C(=O)NC(=O)N1CC(C(=O)O)N)I
Canonical SMILESCACTVS3.341 N[C@@H](CN1C=C(I)C(=O)NC1=O)C(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)I
InChIInChI1.03 InChI=1S/C7H8IN3O4/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 AXXYLTBQIQBTES-BYPYZUCNSA-N

Drug Info: DrugBank

DrugBank IDDB02818 
NameIodo-Willardiine
Groups experimental
SynonymsIodo-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 CHEMBL121915
PubChem 447196
ChEMBL CHEMBL121915