Bioactive Compound Details

BioIDbio2082
NameETINTIDINE
ChEMBL IDCHEMBL2110898
Molecular FormulaC12H16N6S
Molecular Weight276.37
Molecular Weight (Monoisotopic)276.1157
TypeSmall molecule
Max PhaseUnknown
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsETINTIDINA|ETINTIDINE
SmilesC#CCN/C(=N\C#N)NCCSCc1nc[nH]c1C
InchiInChI=1S/C12H16N6S/c1-3-4-14-12(16-8-13)15-5-6-19-7-11-10(2)17-9-18-11/h1,9H,4-7H2,2H3,(H,17,18)(H2,14,15,16)
Inchi KeyKEDVUOWPLAHMLZ-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities4.0
Np Likeness Score-1.83
Records Key['COVC-2288328518', 'COVC-1214895108']
Records Name['ETINTIDINE', 'ETINTIDINE HYDROCHLORIDE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure