Bioactive Compound Details

BioIDbio2032
NameNone
ChEMBL IDCHEMBL332871
Molecular FormulaC14H23N5O3
Molecular Weight309.37
Molecular Weight (Monoisotopic)309.1801
TypeSmall molecule
Max Phase--
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
Synonyms9'-dihydroxy-(+)EHNA
SmilesCCCCCC[C@H]([C@H](C)O)[N+]1([O-])C(=O)Nc2c(N)ncnc21
InchiInChI=1S/C14H23N5O3/c1-3-4-5-6-7-10(9(2)20)19(22)13-11(18-14(19)21)12(15)16-8-17-13/h8-10,20H,3-7H2,1-2H3,(H,18,21)(H2,15,16,17)/t9-,10+,19?/m0/s1
Inchi KeyKQLKDNMOHIBDED-LIHPQCKMSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score0.42
Records Key[8', 9'-dihydroxy-(+)EHNA"]"
Records Name['6-Amino-8,9-dihydroxy-9-[(R)-1-((S)-1-hydroxy-ethyl)-heptyl]-9H-purin-9-ium']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure