Bioactive Compound Details

BioIDbio3061
NameISPRONICLINE
ChEMBL IDCHEMBL188462
Molecular FormulaC14H22N2O
Molecular Weight234.34
Molecular Weight (Monoisotopic)234.1732
TypeSmall molecule
Max PhasePhase 2
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsAZD-3480|AZD3480|ISPRONICLINA|ISPRONICLINE|Ispronicline|TC-01734|TC-1734
SmilesCN[C@@H](C)C/C=C/c1cncc(OC(C)C)c1
InchiInChI=1S/C14H22N2O/c1-11(2)17-14-8-13(9-16-10-14)7-5-6-12(3)15-4/h5,7-12,15H,6H2,1-4H3/b7-5+/t12-/m0/s1
Inchi KeyRPCVIAXDAUMJJP-PZBABLGHSA-N
Molecular SpeciesBASE
Targets17.0
Bioactivities42.0
Np Likeness Score-0.32
Records Key['30', 'ISPRONICLINE', '32, TC-1734', '110, AZD-3480', 'ISPRONICLINE', 'COVC-1747384424', 'EUB0001948a']
Records Name['[(E)-(S)-4-(5-Isopropoxy-pyridin-3-yl)-1-methyl-but-3-enyl]-methyl-amine', 'ISPRONICLINE', '(S)-5-(5-isopropoxypyridin-3-yl)-N-methylpent-4-en-2-amine', '(S)-5-(5-isopropoxypyridin-3-yl)-N-methylpent-4-en-2-amine', 'ISPRONICLINE', 'ISPRONICLINE', 'Ispronicline']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure