Bioactive Compound Details

BioIDbio200468
NameNAVARIXIN
ChEMBL IDCHEMBL216981
Molecular FormulaC21H23N3O5
Molecular Weight397.43
Molecular Weight (Monoisotopic)397.1638
TypeSmall molecule
Max PhasePhase 2
Target IDTar81
Target NameNone
SynonymsMK-7123|NAVARIXIN|Navarixin|PS-291822|PS291822|SCH-527123|SCH527123
SmilesCC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1
InchiInChI=1S/C21H23N3O5/c1-5-13(15-10-9-11(2)29-15)22-16-17(20(27)19(16)26)23-14-8-6-7-12(18(14)25)21(28)24(3)4/h6-10,13,22-23,25H,5H2,1-4H3/t13-/m1/s1
Inchi KeyRXIUEIPPLAFSDF-CYBMUJFWSA-N
Molecular SpeciesNEUTRAL
Targets21.0
Bioactivities68.0
Np Likeness Score-0.93
Records Key['NAVARIXIN', '8', '4', 'SCH-527123', '7', '6', '33, SCH 527123', 'NAVARIXIN', 'Navarixin', 'NAVARIXIN', 'COVC-3356484566', '4, SCH-527123', 'SCH527123, MK-7123', '4044', 'Navarixin', 'NAVARIXIN', 'Navarixin', 'PS-291822', 'Navarixin', 'Navarixin', 'SCH527123; MK-7123', 'Navarixin', 'Navarixin', 'Navarixin', '40', '2']
Records Name['NAVARIXIN', '(R)-2-hydroxy-N,N-dimethyl-3-(2-(1-(5-methylfuran-2-yl)propylamino)-3,4-dioxocyclobut-1-enylamino)benzamide', '(R)-2-hydroxy-N,N-dimethyl-3-(2-(1-(5-methylfuran-2-yl)propylamino)-3,4-dioxocyclobut-1-enylamino)benzamide', '(R)-2-hydroxy-N,N-dimethyl-3-(2-(1-(5-methylfuran-2-yl)propylamino)-3,4-dioxocyclobut-1-enylamino)benzamide', '(R)-2-hydroxy-N,N-dimethyl-3-(2-(1-(5-methylfuran-2-yl)propylamino)-3,4-dioxocyclobut-1-enylamino)benzamide', '(R)-2-hydroxy-N,N-dimethyl-3-(2-(1-(5-methylfuran-2-yl)propylamino)-3,4-dioxocyclobut-1-enylamino)benzamide', '(R)-2-hydroxy-N,N-dimethyl-3-(2-(1-(5-methylfuran-2-yl)propylamino)-3,4-dioxocyclobut-1-enylamino)benzamide', 'NAVARIXIN', 'Navarixin', 'NAVARIXIN', 'NAVARIXIN', '2-hydroxy-N,N-dimethyl-3-{2-[[(R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobut-1-enylamino}benzamide', 'Navarixin', None, 'Navarixin', 'NAVARIXIN', 'Navarixin', '(R)-2-hydroxy-N,N-dimethyl-3-(2-(1-(5-methylfuran-2-yl)propylamino)-3,4-dioxocyclobut-1-enylamino)benzamide', 'Navarixin', 'Navarixin', 'Navarixin', 'Navarixin', 'Navarixin', 'Navarixin', 'Navaraxin', 'R-Navarixin']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure