PQ0

2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDINE-5-CARBONITRILE

Created: 2002-01-22
Last modified:  2020-06-05

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count18
Chiral Atom Count0
Bond Count19
Aromatic Bond Count10
2D diagram of PQ0
Toggle HydrogenToggle Labels

Chemical Component Summary

Name2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDINE-5-CARBONITRILE
Synonyms7-DEAZA-7-CYANO-GUANINE
Systematic Name (OpenEye OEToolkits)2-amino-4-oxo-3,7-dihydropyrrolo[5,4-d]pyrimidine-5-carbonitrile
FormulaC7 H5 N5 O
Molecular Weight175.147
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04N#Cc1cnc2N=C(NC(=O)c12)N
SMILESCACTVS3.341NC1=Nc2[nH]cc(C#N)c2C(=O)N1
SMILESOpenEye OEToolkits1.5.0c1c(c2c([nH]1)N=C(NC2=O)N)C#N
Canonical SMILESCACTVS3.341 NC1=Nc2[nH]cc(C#N)c2C(=O)N1
Canonical SMILESOpenEye OEToolkits1.5.0 c1c(c2c([nH]1)N=C(NC2=O)N)C#N
InChIInChI1.03 InChI=1S/C7H5N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,(H4,9,10,11,12,13)
InChIKeyInChI1.03 FMKSMYDYKXQYRV-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB03074 
Name7-cyano-7-deazaguanine
Groups experimental
Synonyms
  • 7-cyano-7-deazaguanine
  • 7-CN-7-deazaG
  • 7-Cyano-7-carbaguanine
Categories
  • Heterocyclic Compounds, Fused-Ring
  • Purines
  • Purinones
  • Xanthine derivatives

Drug Targets

NameTarget SequencePharmacological ActionActions
Queuine tRNA-ribosyltransferaseMVEATAQETDRPRFSFSIAAREGKARTGTIEMKRGVIRTPAFMPVGTAAT...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 135446206, 446357
ChEMBL CHEMBL577120
ChEBI CHEBI:45075