Bioactive Compound Details

BioIDbio2078
NameMIFENTIDINE
ChEMBL IDCHEMBL308005
Molecular FormulaC13H16N4
Molecular Weight228.3
Molecular Weight (Monoisotopic)228.1375
TypeSmall molecule
Max PhasePhase 2
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsMIFENTIDINA|MIFENTIDINE|Mifentidine
SmilesCC(C)/N=C/Nc1ccc(-c2c[nH]cn2)cc1
InchiInChI=1S/C13H16N4/c1-10(2)15-9-16-12-5-3-11(4-6-12)13-7-14-8-17-13/h3-10H,1-2H3,(H,14,17)(H,15,16)
Inchi KeyGOZUADYOHPCXLE-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets6.0
Bioactivities28.0
Np Likeness Score-0.74
Records Key['Mifentidine', 'MIFENTIDINE', 'MIFENTIDINE', 'COVC-2825221571']
Records Name[N-[4-(1H-Imidazol-4-yl)-phenyl]-N'-isopropyl-formamidine (Mifentidine)", 'MIFENTIDINE', 'MIFENTIDINE', 'MIFENTIDINE']"
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure