Compound Synopsis
Compound Overview
Bioactivity Data Summary
Protein Affinity Profile
Cellline Sensitivity Profile

457827 - Overview - Compound Synopsis

Synonyms
AMN 107AMN-107
NILNILOTINIB
NilotinibTasigna
Molecular Formula
C28H22F3N7O
InChI
InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
Smiles
Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1
Cross References
UniChem225319
canSAR457827
PDBe (Protein Data Bank Europe)NIL
ChEMBLCHEMBL255863
BindingDB50237710
Commercially Available
Yes
Protein Targets


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 529.1837929846.355842861No


Compounds with the same scaffold


Image of compound ID: 457827
Murko Scaffold Family: 5 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12



Compound Lineages


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