Bioactive Compound Details

BioIDbio3117
NameZURETINOL ACETATE
ChEMBL IDCHEMBL4297637
Molecular FormulaC22H32O2
Molecular Weight328.5
Molecular Weight (Monoisotopic)328.2402
TypeSmall molecule
Max PhasePhase 2
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
Synonyms9-CIS-RETINAL ACETATE|9-CIS-RETINYL ACETATE|9-CIS-VITAMIN A ACETATE|9-CIS-VITAMIN A1 ACETATE|ACETATE DE ZURETINOL|ACETATO DE ZURETINOL|QLT-091001|QLT091001|ZURETINOL ACETATE
SmilesCC(=O)OC/C=C(C)/C=C/C=C(C)\C=C\C1=C(C)CCCC1(C)C
InchiInChI=1S/C22H32O2/c1-17(9-7-10-18(2)14-16-24-20(4)23)12-13-21-19(3)11-8-15-22(21,5)6/h7,9-10,12-14H,8,11,15-16H2,1-6H3/b10-7+,13-12+,17-9-,18-14+
Inchi KeyQGNJRVVDBSJHIZ-AQDFTDIISA-N
Molecular SpeciesNEUTRAL
TargetsNone
BioactivitiesNone
Np Likeness Score2.4
Records Key['ZURETINOL ACETATE']
Records Name['ZURETINOL ACETATE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure