TAL

9-(6-DEOXY-ALPHA-L-TALOFURANOSYL)-6-METHYLPURINE

Created: 2003-04-03
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count36
Chiral Atom Count5
Bond Count38
Aromatic Bond Count10
2D diagram of TAL
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Chemical Component Summary

Name9-(6-DEOXY-ALPHA-L-TALOFURANOSYL)-6-METHYLPURINE
Systematic Name (OpenEye OEToolkits)(2R,3S,4R,5R)-2-(1-hydroxyethyl)-5-(6-methylpurin-9-yl)oxolane-3,4-diol
FormulaC12 H16 N4 O4
Molecular Weight280.28
TypeRNA LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04n2c1c(ncnc1n(c2)C3OC(C(O)C3O)C(O)C)C
SMILESCACTVS3.341C[CH](O)[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(C)ncnc23
SMILESOpenEye OEToolkits1.5.0Cc1c2c(ncn1)n(cn2)C3C(C(C(O3)C(C)O)O)O
Canonical SMILESCACTVS3.341 C[C@H](O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(C)ncnc23
Canonical SMILESOpenEye OEToolkits1.5.0 Cc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)[C@H](C)O)O)O
InChIInChI1.03 InChI=1S/C12H16N4O4/c1-5-7-11(14-3-13-5)16(4-15-7)12-9(19)8(18)10(20-12)6(2)17/h3-4,6,8-10,12,17-19H,1-2H3/t6-,8-,9+,10+,12+/m0/s1
InChIKeyInChI1.03 XJZDIUOABWMPLZ-DSBXBFMBSA-N

Drug Info: DrugBank

DrugBank IDDB02934 
Name9-(6-deoxy-alpha-L-talofuranosyl)-6-methylpurine
Groups experimental
Synonyms9-(6-deoxy-alpha-L-talofuranosyl)-6-methylpurine

Drug Targets

NameTarget SequencePharmacological ActionActions
Purine nucleoside phosphorylase DeoD-typeMATPHINAEMGDFADVVLMPGDPLRAKYIAETFLEDAREVNNVRGMLGFT...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 447722
ChEMBL CHEMBL1236184