Bioactive Compound Details

BioIDbio199502
Name(2S)-ETHYL 2-((((2R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-FLUORO-2,5-DIHYDROFURAN-2-YLOXY)METHYL)(PHENOXY)PHOSPHORYLAMINO)PROPANOATE (ENANTIOMERIC MIX)
ChEMBL IDCHEMBL1098392
Molecular FormulaC21H24FN6O6P
Molecular Weight506.43
Molecular Weight (Monoisotopic)506.1479
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsNone
SmilesCCOC(=O)[C@H](C)NP(=O)(CO[C@@H]1C=C(F)[C@H](n2cnc3c(N)ncnc32)O1)Oc1ccccc1
InchiInChI=1S/C21H24FN6O6P/c1-3-31-21(29)13(2)27-35(30,34-14-7-5-4-6-8-14)12-32-16-9-15(22)20(33-16)28-11-26-17-18(23)24-10-25-19(17)28/h4-11,13,16,20H,3,12H2,1-2H3,(H,27,30)(H2,23,24,25)/t13-,16-,20+,35?/m0/s1
Inchi KeyOCJRRXHWPBXZSU-VVLAXKTRSA-N
Molecular SpeciesNEUTRAL
Targets8.0
Bioactivities15.0
Np Likeness Score-0.2
Records Key['18v']
Records Name['(2S)-ethyl 2-((((2R,5R)-5-(6-amino-9H-purin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yloxy)methyl)(phenoxy)phosphorylamino)propanoate']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure