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

375 - Overview - Compound Synopsis

Synonyms
1N1BMS-354825
BMS-354825-03DASATINIB
DasatinibSprycel
Molecular Formula
C22H26ClN7O2S
InChI
InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
Smiles
Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
Cross References
UniChem428726
canSAR375
PDBe (Protein Data Bank Europe)1N1
ChEMBLCHEMBL1421
BindingDB13216
BindingDB31089
Commercially Available
Yes
Protein Targets


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 487.1557217523.313543959No