Bioactive Compound Details

BioIDbio199338
NameNone
ChEMBL IDCHEMBL2012669
Molecular FormulaC12H13N5O3S
Molecular Weight307.34
Molecular Weight (Monoisotopic)307.0739
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms4'-ethynyl-2'-deoxy-4'- thioguanosine
SmilesC#C[C@]1(CO)S[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C[C@@H]1O
InchiInChI=1S/C12H13N5O3S/c1-2-12(4-18)6(19)3-7(21-12)17-5-14-8-9(17)15-11(13)16-10(8)20/h1,5-7,18-19H,3-4H2,(H3,13,15,16,20)/t6-,7+,12+/m0/s1
Inchi KeyJWRHCTKIFNFUMB-QRPMWFLTSA-N
Molecular SpeciesNEUTRAL
Targets18.0
Bioactivities22.0
Np Likeness Score0.4
Records Key[43, 4'-ethynyl-2'-deoxy-4'- thioguanosine"]"
Records Name['9-[2-Deoxy-4-ethynyl-4-thio-beta-D-ribofuranosyl]guanine']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure