Calculated Values
MW: 1,118.78 Hbond donors: 4 Hbond acceptors: 18 cLogP: 5.39 TPSA: 239.18 SMILES: show Cc1ncsc1-c1ccc2c(c1)OCCOCCOC[C@@H](NC(=O)C[C@@H]1N=C(c3ccc(Cl)cc3)c3c(sc(C)c3C)-n3c(C)nnc31)COCCOCCOCC(=O)N[C@@H](C(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1C(=O)NC2 Linker type: Other Incubation time (hours): 4,18 Cells: hela IC50: = 189 nM DC50: < 125 nM Dmax: = 90 % Off-targets reported?: Brd2 and Brd3 (DC50 >125nM) Comments: they heva a ternary complex crystal structure but dont give PDB. DC50 is between 25-125nM Contributed by: Efrat Resnick |