Bioactive Compound Details

BioIDbio2639
NameNone
ChEMBL IDCHEMBL521870
Molecular FormulaC16H26O7S
Molecular Weight362.44
Molecular Weight (Monoisotopic)362.1399
TypeSmall molecule
Max Phase--
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
Synonyms9-Methanesulfonyl-Dha
SmilesC[C@@H]1CC[C@@H]2[C@]34OO[C@@](C)(CC[C@@H]13)O[C@H]4O[C@H](O)[C@@]2(C)S(C)(=O)=O
InchiInChI=1S/C16H26O7S/c1-9-5-6-11-15(3,24(4,18)19)12(17)20-13-16(11)10(9)7-8-14(2,21-13)22-23-16/h9-13,17H,5-8H2,1-4H3/t9-,10+,11+,12+,13-,14+,15+,16-/m1/s1
Inchi KeyMOPUFKZXHIEULB-VUQLBCKLSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score2.83
Records Key['9a']
Records Name['9-methanesulfonyl-DHA']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure