Bioactive Compound Details

BioIDbio200443
NameNAVARIXIN
ChEMBL IDCHEMBL2103864
Molecular FormulaC21H25N3O6
Molecular Weight415.45
Molecular Weight (Monoisotopic)397.1638
TypeSmall molecule
Max PhasePhase 2
Target IDTar81
Target NameNone
SynonymsMK-7123|NAVARIXIN MONOHYDRATE|NAVARIXINA|NAVARIXINE|Navarixin|PS291822|SCH 527123|SCH527123
SmilesCC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1.O
InchiInChI=1S/C21H23N3O5.H2O/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;1H2/t13-;/m1./s1
Inchi KeyAFTCWZSEWTXWTL-BTQNPOSSSA-N
Molecular SpeciesNEUTRAL
TargetsNone
BioactivitiesNone
Np Likeness Score-0.93
Records Key['NAVARIXIN', 'NAVARIXIN']
Records Name['NAVARIXIN', 'NAVARIXIN']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure