Bioactive Compound Details

BioIDbio200300
Name2-((((2R,3R,4R,5R)-5-(4-AMINO-2-OXOPYRIMIDIN-1(2H)-YL)-3,4-DIHYDROXY-4-METHYLTETRAHYDROFURAN-2-YL)METHOXY)(PHENOXY)PHOSPHORYLAMINO)ETHYL 2-PROPYLPENTANOATE (DIASTEREOMERIC MIX)
ChEMBL IDCHEMBL463617
Molecular FormulaC26H39N4O9P
Molecular Weight582.59
Molecular Weight (Monoisotopic)582.2455
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsNone
SmilesCCCC(CCC)C(=O)OCCNP(=O)(OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(O)[C@@H]1O)Oc1ccccc1
InchiInChI=1S/C26H39N4O9P/c1-4-9-18(10-5-2)23(32)36-16-14-28-40(35,39-19-11-7-6-8-12-19)37-17-20-22(31)26(3,34)24(38-20)30-15-13-21(27)29-25(30)33/h6-8,11-13,15,18,20,22,24,31,34H,4-5,9-10,14,16-17H2,1-3H3,(H,28,35)(H2,27,29,33)/t20-,22-,24-,26-,40?/m1/s1
Inchi KeyOYFIQEIWNNPSMC-BQJLNHOESA-N
Molecular SpeciesNEUTRAL
Targets8.0
Bioactivities19.0
Np Likeness Score0.59
Records Key['10a', '10b']
Records Name['2-((((2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxy-4-methyltetrahydrofuran-2-yl)methoxy)(phenoxy)phosphorylamino)ethyl 2-propylpentanoate', '2-((((2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxy-4-methyltetrahydrofuran-2-yl)methoxy)(phenoxy)phosphorylamino)ethyl2-propylpentanoate']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure