Bioactive Compound Details

BioIDbio2070
NameRIVANICLINE GALACTARATE
ChEMBL IDCHEMBL2107367
Molecular FormulaC26H38N4O8
Molecular Weight534.61
Molecular Weight (Monoisotopic)162.1157
TypeSmall molecule
Max PhaseUnknown
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
Synonyms(E)-METANICOTINE GALACTARATE|RIVANICLINE GALACTARATE|TC-02403-12|TRANS-METANICOTINE GALACTARATE
SmilesCNCC/C=C/c1cccnc1.CNCC/C=C/c1cccnc1.O=C(O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)O
InchiInChI=1S/2C10H14N2.C6H10O8/c2*1-11-7-3-2-5-10-6-4-8-12-9-10;7-1(3(9)5(11)12)2(8)4(10)6(13)14/h2*2,4-6,8-9,11H,3,7H2,1H3;1-4,7-10H,(H,11,12)(H,13,14)/b2*5-2+;/t;;1-,2+,3+,4-
Inchi KeyCIMKLHOSRSGWFB-MWCLJRRUSA-N
Molecular SpeciesBASE
TargetsNone
BioactivitiesNone
Np Likeness Score0.27
Records Key['RIVANICLINE GALACTARATE']
Records Name['RIVANICLINE GALACTARATE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure