Bioactive Compound Details

BioIDbio2628
NameENPATORAN
ChEMBL IDCHEMBL4802159
Molecular FormulaC16H15F3N4
Molecular Weight320.32
Molecular Weight (Monoisotopic)320.1249
TypeSmall molecule
Max PhasePhase 2
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsENPATORAN|M-5049|M5049
SmilesN#Cc1ccc(N2C[C@H](N)C[C@H](C(F)(F)F)C2)c2cccnc12
InchiInChI=1S/C16H15F3N4/c17-16(18,19)11-6-12(21)9-23(8-11)14-4-3-10(7-20)15-13(14)2-1-5-22-15/h1-5,11-12H,6,8-9,21H2/t11-,12+/m0/s1
Inchi KeyBJXYHBKEQFQVES-NWDGAFQWSA-N
Molecular SpeciesBASE
TargetsNone
BioactivitiesNone
Np Likeness Score-1.22
Records Key['ENPATORAN', 'ENPATORAN']
Records Name['ENPATORAN', 'ENPATORAN']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure