Bioactive Compound Details

BioIDbio2242
NameNone
ChEMBL IDCHEMBL260931
Molecular FormulaC25H35N3
Molecular Weight377.58
Molecular Weight (Monoisotopic)377.2831
TypeSmall molecule
Max Phase--
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsN5-ethyl-N1-anthracen-9-yl methyl
SmilesCCN(CCCCN)CCCCNCc1c2ccccc2cc2ccccc12
InchiInChI=1S/C25H35N3/c1-2-28(17-9-7-15-26)18-10-8-16-27-20-25-23-13-5-3-11-21(23)19-22-12-4-6-14-24(22)25/h3-6,11-14,19,27H,2,7-10,15-18,20,26H2,1H3
Inchi KeyIQXMRBSNLKAISX-UHFFFAOYSA-N
Molecular SpeciesBASE
Targets4.0
Bioactivities5.0
Np Likeness Score-0.54
Records Key['6, N5-ethyl-N1-anthracen-9-yl methyl (4,4)']
Records Name['N1-{4-[(anthracen-9-ylmethyl)-amino]-butyl}-N1-ethyl-butane-1,4-diamine']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure