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

37936 - Overview - Compound Synopsis

Synonyms
BIBF-1120NINTEDANIB
NintedanibOfev
XIN
Molecular Formula
C31H33N5O4
InChI
InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38)/b29-28-
Smiles
COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)c1ccccc1
Cross References
UniChem53228
canSAR37936
PDBe (Protein Data Bank Europe)XIN
ChEMBLCHEMBL502835
BindingDB50026612
Commercially Available
Unknown
Protein Targets


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 539.2532545363.61592973Yes


Compounds with the same scaffold


Image of compound ID: 37936
Murko Scaffold Family: 15 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12





Compound Lineages


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