Bioactive Compound Details

BioIDbio3278
NameRANITIDINE
ChEMBL IDCHEMBL1790041
Molecular FormulaC13H22N4O3S
Molecular Weight314.41
Molecular Weight (Monoisotopic)314.1413
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsNSC-757851|RANITIDINA|RANITIDINE|Ranitidine|Tritec|Zantac
SmilesCNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1
InchiInChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3
Inchi KeyVMXUWOKSQNHOCA-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets205.0
Bioactivities2794.0
Np Likeness Score-1.29
Records Key['Ranitidine', 'Ranitidine', 'Ranitidine', 'Ranitidine', 'Ranitidine', 'Ranitidine', 'ranitidine', '9 (ranitidine)', 'Ranitidine', 'Ranitidine', 'ranitidine', 'Ranitidine', 'Ranitidine', 'Ranitidine', 'Ranitidine', 'Ranitidine', '32', '113', 'Ranitidine', 'Ranitidine', 'ranitidine', '82', 'Ranitidine', 'Ranitidine', '1 (Ranitidine)', 'ranitidine', 'Ranitidine', '50, Ranitidine', 'ranitidine', 'Ranitidine', 'Rantidine', 'Ranitidine', '69', 'ranitidine', 'Ranitidine', '291', 'Ranitidine', 'ranitidine', 'Ranitidine', 'Ranitidine', 'ranitidine', '1337', 'Ranitidine', 'Ranitidine', 'ranitidine', 'Ranitidine', 'ranitidine', 'ranitidine', 'Ranitidine', 'Ranitidine', 'Ranitidine', 'Ranitidine', 'Ranitidine', 'ranitidine', 'Ranitidine', 'Ranitidine', 'Ranitidine', 'Ranitidine', 'SID11113371', 'Ranitidine', 'Ranitidine', 'RANITIDINE', 'Ranitidine', 'Ranitidine', 'Ranitidine', 'ranitidine', 'ranitidine', 'RANITIDINE', 'Ranitidine', 'Ranitidine', 'Ranitidine', 'Ranitidine', 'Ranitidine', 'Ranitidine', 'Ranitidine', 'AZ66', 'Ranitidine', 'ranitidine', 'Ranitidine', 'RANITIDINE', 'Ranitidine', '150', 'ranitidine 160 micromolar', 'Ranitidine', 'Ranitidine', 'Ranitidine', 'Ranitidine', 'ranitidine 4000 micromolar', 'ranitidine 800 micromolar', 'Ranitidine (table SV)', 'RANITIDINE', 'Ranitidine (12)', 'Ranitidine', 'RANITIDINE', 'Ranitidine', 'Ranitidine', 'Ranitidine', 'Ranitidine', 'ranitidine', 'Ranitidine', 'SID11111715', 'SID11111714', 'Ranitidine', 'SID144203801', 'SID144212689', 'ranitidine', '106', 'SID104171226', 'Ranitidine', 'SID90341455', 'Ranitidine', 'Ranitidine', 'SID124881292', 'Ranitidine', 'Ranitidine', 'ranitidine', 'Ranitidine', 'ranitidine', 'ranitidine', 'Ranitidine', 'Ranitidine', 'Ranitidine', 'Ranitidine', 'ranitidine', 'Ranitidine', 'Ranitidine', 'Ranitidine', 'Ranitidine', 'SID170465134', 'Ranitidine', 'RANITIDINE', 'COVC-3897104190', 'RANITIDINE', 'Ranitidine', 'Ranitidine', 'RANITIDINE', '10', 'Ranitidine', 'Ranitidine', 'Ranitidine', 'Ranitidine', 'Ranitidine', 'Ranitidine', 'Ranitidine', 'Ranitidine', 'Ranitidine', 'Ranitidine', '12', 'Ranitidine', 'Ranitidine', 'Ranitidine', 'Ranitidine', 'ranitidine', 'Ranitidine', 'Ranitidine', 'RANITIDINE']
Records Name['Ranitidine', '1N-[2-(5-dimethylaminomethyl-2-furylmethylsulfanyl)ethyl]-1N-methyl-2-nitro-(Z)-1-ethene-1,1-diamine', 'N-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)thio]ethyl}-N-[(Z)-1-(methylamino)-2-nitrovinyl]amine (Ranitidine)', 'Ranitidine', 'Ranitidine', 'Ranitidine', '1N-[2-(5-dimethylaminomethyl-2-furylmethylsulfanyl)ethyl]-1N-methyl-2-nitro-(Z)-1-ethene-1,1-diamine', 'N-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)thio]ethyl}-N-[(E)-1-(methylamino)-2-nitrovinyl]amine', 'N-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)thio]ethyl}-N-[(E)-1-(methylamino)-2-nitrovinyl]amine', 'N-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)thio]ethyl}-N-[(E)-1-(methylamino)-2-nitrovinyl]amine', 'ranitidine', 'N-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)thio]ethyl}-N-[(Z)-1-(methylamino)-2-nitrovinyl]amine', '1N-[2-(5-dimethylaminomethyl-2-furylmethylsulfanyl)ethyl]-1N-methyl-2-nitro-(Z)-1-ethene-1,1-diamine (Ranitidine)ranitidine', 'Ranitidine', 'ranitidine', 'Ranitidine', 'N-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)thio]ethyl}-N-[(Z)-1-(methylamino)-2-nitrovinyl]amine (Ranitidine)', '1N-[2-(5-dimethylaminomethyl-2-furylmethylsulfanyl)ethyl]-1N-methyl-2-nitro-(Z)-1-ethene-1,1-diamine (ranitidine)', 'N-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)thio]ethyl}-N-[(Z)-1-(methylamino)-2-nitrovinyl]amine (Ranitidine)', '1N-[2-(5-dimethylaminomethyl-2-furylmethylsulfanyl)ethyl]-1N-methyl-2-nitro-(Z)-1-ethene-1,1-diamine', '1N-[2-(5-dimethylaminomethyl-2-furylmethylsulfanyl)ethyl]-1N-methyl-2-nitro-(Z)-1-ethene-1,1-diamine', 'Ranitidine', 'Ranitidine', 'N-(2-((5-((dimethylamino)methyl)furan-2-yl)methylthio)ethyl)-N-methyl-2-nitroethene-1,1-diamine', 'N-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)thio]ethyl}-N-[(Z)-1-(methylamino)-2-nitrovinyl]amine (Ranitidine)', 'N-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)thio]ethyl}-N-[(Z)-1-(methylamino)-2-nitrovinyl]amine', 'Ranitidine', '(E)-N-(2-((5-((dimethylamino)methyl)furan-2-yl)methylthio)ethyl)-N-methyl-2-nitroethene-1,1-diamine', 'Ranitidine', 'N-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)thio]ethyl}-N-[(Z)-1-(methylamino)-2-nitrovinyl]amine', 'N-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)thio]ethyl}-N-[(Z)-1-(methylamino)-2-nitrovinyl]amine', 'Ranitidine', 'ranitidine', 'N-(2-((5-((dimethylamino)methyl)furan-2-yl)methylthio)ethyl)-N-methyl-2-nitroethene-1,1-diamine', 'N-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)thio]ethyl}-N-[(E)-1-(methylamino)-2-nitrovinyl]amine', 'Ranitidine', 'N-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)thio]ethyl}-N
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure