Bioactive Compound Details

BioIDbio2911
NameTALAMPANEL
ChEMBL IDCHEMBL61872
Molecular FormulaC19H19N3O3
Molecular Weight337.38
Molecular Weight (Monoisotopic)337.1426
TypeSmall molecule
Max PhasePhase 2
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
Synonyms(-)-TALAMPANEL|GYKI-53773|LY-300164|LY300164|TALAMPANEL
SmilesCC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2C[C@H]1C)OCO3
InchiInChI=1S/C19H19N3O3/c1-11-7-14-8-17-18(25-10-24-17)9-16(14)19(21-22(11)12(2)23)13-3-5-15(20)6-4-13/h3-6,8-9,11H,7,10,20H2,1-2H3/t11-/m1/s1
Inchi KeyJACAAXNEHGBPOQ-LLVKDONJSA-N
Molecular SpeciesNEUTRAL
Targets11.0
Bioactivities41.0
Np Likeness Score-0.04
Records Key['TALAMPANEL', '2', '2 (Talampanel)', '6', '1 (referent)', '4a', 'LY-300164, talampanel', '4', 'TALAMPANEL', 'talampanel', '26', '3, Talampanel', 'TALAMPANEL', 'talampanel', 'TALAMPANEL', 'talampanel']
Records Name['1-[5-(4-Amino-phenyl)-8-methyl-8,9-dihydro-1,3-dioxa-6,7-diaza-cyclohepta[f]inden-7-yl]-ethanone', '1-[5-(4-Amino-phenyl)-8-methyl-8,9-dihydro-1,3-dioxa-6,7-diaza-cyclohepta[f]inden-7-yl]-ethanone', '1-[5-(4-Amino-phenyl)-8-methyl-9H-1,3-dioxa-6,7-diaza-cyclohepta[f]inden-7-yl]-ethanone', '1-[5-(4-Amino-phenyl)-8-methyl-8,9-dihydro-1,3-dioxa-6,7-diaza-cyclohepta[f]inden-7-yl]-ethanone', '1-[(R)-5-(4-Amino-phenyl)-8-methyl-8,9-dihydro-1,3-dioxa-6,7-diaza-cyclohepta[f]inden-7-yl]-ethanone', '1-[(R)-5-(4-Amino-phenyl)-8-methyl-8,9-dihydro-1,3-dioxa-6,7-diaza-cyclohepta[f]inden-7-yl]-ethanone', '1-[(R)-5-(4-amino-phenyl)-8-methyl-8,9-dihydro-1,3-dioxa-6,7-diaza-cyclohepta[f]inden-7-yl]-ethanone', 'Talampanel', 'TALAMPANEL', 'talampanel', '1-[(R)-5-(4-Amino-phenyl)-8-methyl-8,9-dihydro-1,3-dioxa-6,7-diaza-cyclohepta[f]inden-7-yl]-ethanone', '1-[(R)-5-(4-amino-phenyl)-8-methyl-8,9-dihydro-1,3-dioxa-6,7-diaza-cyclohepta[f]inden-7-yl]-ethanone', 'TALAMPANEL', 'talampanel', 'TALAMPANEL', 'talampanel']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure