Bioactive Compound Details

BioIDbio2960
NameCIPRALISANT MALEATE
ChEMBL IDCHEMBL2106003
Molecular FormulaC18H24N2O4
Molecular Weight332.4
Molecular Weight (Monoisotopic)216.1626
TypeSmall molecule
Max PhasePhase 1
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsCIPRALISANT MALEATE|Cipralisant Maleate|GT-2331|GT2331
SmilesCC(C)(C)CCC#C[C@@H]1C[C@H]1c1c[nH]cn1.O=C(O)/C=C\C(=O)O
InchiInChI=1S/C14H20N2.C4H4O4/c1-14(2,3)7-5-4-6-11-8-12(11)13-9-15-10-16-13;5-3(6)1-2-4(7)8/h9-12H,5,7-8H2,1-3H3,(H,15,16);1-2H,(H,5,6)(H,7,8)/b;2-1-/t11-,12-;/m1./s1
Inchi KeyQIQWRCNAPQJQLL-COALEZEGSA-N
Molecular SpeciesNEUTRAL
TargetsNone
BioactivitiesNone
Np Likeness Score0.12
Records Key['CIPRALISANT MALEATE', 'CIPRALISANT MALEATE']
Records Name['CIPRALISANT MALEATE', 'CIPRALISANT MALEATE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure