Bioactive Compound Details

BioIDbio81013
NameDANIRIXIN
ChEMBL IDCHEMBL3039531
Molecular FormulaC19H21ClFN3O4S
Molecular Weight441.91
Molecular Weight (Monoisotopic)441.0925
TypeSmall molecule
Max PhasePhase 2
Target IDTar60
Target NameNone
SynonymsDANIRIXIN|DANIRIXINA|DANIRIXINE|GSK-1325756B|GSK1325756|GSK1325756B|danirixin
SmilesCc1c(F)cccc1NC(=O)Nc1ccc(Cl)c(S(=O)(=O)[C@H]2CCCNC2)c1O
InchiInChI=1S/C19H21ClFN3O4S/c1-11-14(21)5-2-6-15(11)23-19(26)24-16-8-7-13(20)18(17(16)25)29(27,28)12-4-3-9-22-10-12/h2,5-8,12,22,25H,3-4,9-10H2,1H3,(H2,23,24,26)/t12-/m0/s1
Inchi KeyNGYNBSHYFOFVLS-LBPRGKRZSA-N
Molecular SpeciesACID
Targets73.0
Bioactivities157.0
Np Likeness Score-1.41
Records Key['DANIRIXIN', 'Ex 1', 'Danirixin', 'DANIRIXIN', 'DANIRIXIN', 'Danirixin', 'Danirixin', 'EUB0000523a', 'EUB0000523a', 'Danirixin', 'EUB0000523a', 'EUB0000523a', 'Danirixin', 'EUB0000523a', 'EUB0000523a']
Records Name['DANIRIXIN', N-{4-chloro-2-hydroxy-3-[(3S)-3-piperidinylsulfonyl]phenyl}-N'-(3-fluoro-2-methylphenyl)urea", 'Danirixin', 'DANIRIXIN', 'DANIRIXIN', 'Danirixin', 'Danirixin', 'DANIRIXIN', 'DANIRIXIN', 'Danirixin', 'DANIRIXIN', 'DANIRIXIN', 'Danirixin', 'DANIRIXIN', 'DANIRIXIN']"
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure