Bioactive Compound Details

BioIDbio2651
NameNone
ChEMBL IDCHEMBL460446
Molecular FormulaC26H53O11P
Molecular Weight572.67
Molecular Weight (Monoisotopic)572.3325
TypeSmall molecule
Max Phase--
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
Synonyms1-(9-Methylhexadecyl)Lysoplasmanylinositol
SmilesCCCCCCCC(C)CCCCCCCCOC[C@@H](O)COP(=O)(O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@@H]1O
InchiInChI=1S/C26H53O11P/c1-3-4-5-8-11-14-19(2)15-12-9-6-7-10-13-16-35-17-20(27)18-36-38(33,34)37-26-24(31)22(29)21(28)23(30)25(26)32/h19-32H,3-18H2,1-2H3,(H,33,34)/t19?,20-,21-,22-,23+,24+,25+,26-/m1/s1
Inchi KeyPPFDZWUHXPNCKF-RCGBBZEASA-N
Molecular SpeciesACID
Targets2.0
Bioactivities2.0
Np Likeness Score1.02
Records Key['2']
Records Name['1-(9-methylhexadecyl)lysoplasmanylinositol']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure