Bioactive Compound Details

BioIDbio35899
NameBICTEGRAVIR
ChEMBL IDCHEMBL3989866
Molecular FormulaC21H18F3N3O5
Molecular Weight449.39
Molecular Weight (Monoisotopic)449.1199
TypeSmall molecule
Max PhasePhase 4
Target IDTar19
Target NameVascular endothelial cell growth inhibitor (TNFSF15)
SynonymsBICTEGRAVIR|GS-9883|GS-9883-01
SmilesO=C(NCc1c(F)cc(F)cc1F)c1cn2c(c(O)c1=O)C(=O)N1[C@H]3CC[C@H](C3)O[C@@H]1C2
InchiInChI=1S/C21H18F3N3O5/c22-9-3-14(23)12(15(24)4-9)6-25-20(30)13-7-26-8-16-27(10-1-2-11(5-10)32-16)21(31)17(26)19(29)18(13)28/h3-4,7,10-11,16,29H,1-2,5-6,8H2,(H,25,30)/t10-,11+,16+/m0/s1
Inchi KeySOLUWJRYJLAZCX-LYOVBCGYSA-N
Molecular SpeciesNEUTRAL
Targets6.0
Bioactivities15.0
Np Likeness Score-0.38
Records Key['BICTEGRAVIR', 'BICTEGRAVIR', 'BIC', 'Bictegravir', '411', 'GS-9883']
Records Name['BICTEGRAVIR', 'BICTEGRAVIR', 'Bictegravir', 'Bictegravir', 'Bictegravir', 'Bictegravir']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure