Bioactive Compound Details

BioIDbio2912
NameENDRALAZINE
ChEMBL IDCHEMBL254193
Molecular FormulaC14H15N5O
Molecular Weight269.31
Molecular Weight (Monoisotopic)269.1277
TypeSmall molecule
Max PhasePhase 2
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsENDRALAZINA|ENDRALAZINE
SmilesN/N=c1/cc2c(n[nH]1)CCN(C(=O)c1ccccc1)C2
InchiInChI=1S/C14H15N5O/c15-16-13-8-11-9-19(7-6-12(11)17-18-13)14(20)10-4-2-1-3-5-10/h1-5,8H,6-7,9,15H2,(H,16,18)
Inchi KeyALAXZYHFVBSJKZ-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets44.0
Bioactivities69.0
Np Likeness Score-1.61
Records Key['070, endralazine', 'Endralazine', 'ENDRALAZINE', 'endralazine']
Records Name['(3-hydrazono-3,5,7,8-tetrahydro-2H-pyrido[4,3-c]pyridazin-6-yl)-phenyl-methanone', 'Endralazine', 'ENDRALAZINE', 'endralazine']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure