Calculated Values
MW: 1,092.17 Hbond donors: 3 Hbond acceptors: 16 cLogP: 8.16 TPSA: 267.07 SMILES: show O=C([C@H]1N(C(C(C(C)(C)CC)=O)=O)CCCC1)O[C@@H](C2=CC=CC(OCC(NC3=CC=C(/N=N/C4=CC=C(NC(COC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)C=C4)C=C3)=O)=C2)CCC8=CC=C(OC)C(OC)=C8 Linker type: Other Incubation time (hours): 4 Cells: RS4;11 Off-targets reported?: No Comments: Light-activated PROTAC. The cis form is active. Contributed by: Yangwode Jing |
Calculated Values
MW: 1,104.22 Hbond donors: 3 Hbond acceptors: 17 cLogP: 6.58 TPSA: 268.46 SMILES: show O=C(NCCCNC(COC1=C(OC)C=C(/N=N/C2=CC=CC3=C2CN(C(CC4)C(NC4=O)=O)C3=O)C=C1OC)=O)COc5cc([C@@H](CCc6cc(OC)c(OC)cc6)OC([C@@H]7CCCCN7C(C(C(C)(C)CC)=O)=O)=O)ccc5 Linker type: Other Incubation time (hours): 4 Cells: RS4;11 Off-targets reported?: No Comments: Light-activated PROTAC. The cis form is active. Contributed by: Yangwode Jing
Calculated Values
MW: 1,030.14 Hbond donors: 3 Hbond acceptors: 15 cLogP: 6.17 TPSA: 250.00 SMILES: show O=C([C@H]1N(C(C(C(C)(C)CC)=O)=O)CCCC1)O[C@@H](C2=CC=CC(OCC(NCCNC(COC3=CC=C(/N=N\C4=CC=CC5=C4CN(C(CC6)C(NC6=O)=O)C5=O)C=C3)=O)=O)=C2)CCC7=CC=C(OC)C(OC)=C7 Linker type: Other Incubation time (hours): 4 Cells: RS4;11 Off-targets reported?: No Comments: Light-activated PROTAC. The cis form is active. Contributed by: Yangwode Jing
Calculated Values
MW: 1,118.25 Hbond donors: 3 Hbond acceptors: 17 cLogP: 6.97 TPSA: 268.46 SMILES: show O=C(NCCCCNC(COC1=C(OC)C=C(/N=N/C2=CC=CC3=C2CN(C(CC4)C(NC4=O)=O)C3=O)C=C1OC)=O)COc5cc([C@@H](CCc6cc(OC)c(OC)cc6)OC([C@@H]7CCCCN7C(C(C(C)(C)CC)=O)=O)=O)ccc5 Linker type: Other Incubation time (hours): 4 Cells: RS4;11 Off-targets reported?: No Comments: Light-activated PROTAC. The cis form is active. Contributed by: Yangwode Jing
Calculated Values
MW: 1,132.28 Hbond donors: 3 Hbond acceptors: 17 cLogP: 7.36 TPSA: 268.46 SMILES: show O=C(NCCCCCNC(COC1=C(OC)C=C(/N=N/C2=CC=CC3=C2CN(C(CC4)C(NC4=O)=O)C3=O)C=C1OC)=O)COc5cc([C@@H](CCc6cc(OC)c(OC)cc6)OC([C@@H]7CCCCN7C(C(C(C)(C)CC)=O)=O)=O)ccc5 Linker type: Other Incubation time (hours): 4 Cells: RS4;11 Off-targets reported?: No Comments: Light-activated PROTAC. The cis form is active. Contributed by: Yangwode Jing
Calculated Values
MW: 1,146.30 Hbond donors: 3 Hbond acceptors: 17 cLogP: 7.75 TPSA: 268.46 SMILES: show O=C(NCCCCCCNC(COC1=C(OC)C=C(/N=N/C2=CC=CC3=C2CN(C(CC4)C(NC4=O)=O)C3=O)C=C1OC)=O)COc5cc([C@@H](CCc6cc(OC)c(OC)cc6)OC([C@@H]7CCCCN7C(C(C(C)(C)CC)=O)=O)=O)ccc5 Linker type: Other Incubation time (hours): 4 Cells: RS4;11 Off-targets reported?: No Comments: Light-activated PROTAC. The cis form is active. Contributed by: Yangwode Jing |
Calculated Values
MW: 937.44 Hbond donors: 3 Hbond acceptors: 14 cLogP: 7.38 TPSA: 218.77 SMILES: show O=C(NCCC1=CC=C(/N=N/C2=CC=C(NC(COC3=CC=CC(C(N4C(CC5)C(NC5=O)=O)=O)=C3C4=O)=O)C=C2)C=C1)C[C@H]6C7=NN=C(C)N7C8=C(C(C)=C(C)S8)C(C9=CC=C(Cl)C=C9)=N6 Linker type: Other Incubation time (hours): 4 Cells: RS4;11 Off-targets reported?: No Comments: Light-activated PROTAC. The cis form is active. Contributed by: Yangwode Jing
Calculated Values
MW: 923.41 Hbond donors: 3 Hbond acceptors: 14 cLogP: 7.34 TPSA: 218.77 SMILES: show O=C(NCC1=CC=C(/N=N/C2=CC=C(NC(COC3=CC=CC(C(N4C(CC5)C(NC5=O)=O)=O)=C3C4=O)=O)C=C2)C=C1)C[C@H]6C7=NN=C(C)N7C8=C(C(C)=C(C)S8)C(C9=CC=C(Cl)C=C9)=N6 Linker type: Other Incubation time (hours): 4 Cells: RS4;11 Off-targets reported?: No Comments: Light-activated PROTAC. The cis form is active. Contributed by: Yangwode Jing
Calculated Values
MW: 935.42 Hbond donors: 3 Hbond acceptors: 14 cLogP: 7.76 TPSA: 218.77 SMILES: show O=C(NC1=CC=C2/N=N\C3=CC=C(NC(COC4=CC=CC(C(N5C(CC6)C(NC6=O)=O)=O)=C4C5=O)=O)C=C3CCC2=C1)C[C@H]7C8=NN=C(C)N8C9=C(C(C)=C(C)S9)C(C%10=CC=C(Cl)C=C%10)=N7 Linker type: Other Incubation time (hours): 4 Cells: RS4;11 Off-targets reported?: No Comments: Light-activated PROTAC. The cis form is active. Contributed by: Yangwode Jing
Calculated Values
MW: 909.38 Hbond donors: 3 Hbond acceptors: 14 cLogP: 7.66 TPSA: 218.77 SMILES: show O=C(NC1=CC=C(/N=N/C2=CC=C(NC(COC3=CC=CC(C(N4C(CC5)C(NC5=O)=O)=O)=C3C4=O)=O)C=C2)C=C1)C[C@H]6C7=NN=C(C)N7C8=C(C(C)=C(C)S8)C(C9=CC=C(Cl)C=C9)=N6 Linker type: Other Incubation time (hours): 4 Cells: RS4;11 Off-targets reported?: No Comments: Light-activated PROTAC. The cis form is active. Contributed by: Yangwode Jing
Calculated Values
MW: 921.39 Hbond donors: 3 Hbond acceptors: 16 cLogP: 5.33 TPSA: 237.23 SMILES: show O=C(NCCNC(COC1=C(OC)C=C(/N=N/C2=CC3=C(C(N(C(CC4)C(NC4=O)=O)C3=O)=O)C=C2)C=C1OC)=O)C[C@H]5C6=NN=C(C)N6C7=C(C(C)=C(C)S7)C(C8=CC=C(Cl)C=C8)=N5 Linker type: Other Incubation time (hours): 4 Cells: RS4;11 Off-targets reported?: No Comments: Light-activated PROTAC. The cis form is active. Contributed by: Yangwode Jing |
Calculated Values
MW: 935.46 Hbond donors: 3 Hbond acceptors: 15 cLogP: 6.47 TPSA: 220.16 SMILES: show O=C(NCCCCNC(COC1=C(OC)C=C(/N=N/C2=CC=CC3=C2CN(C(CC4)C(NC4=O)=O)C3=O)C=C1OC)=O)C[C@H]5C6=NN=C(C)N6C7=C(C(C)=C(C)S7)C(C8=CC=C(Cl)C=C8)=N5 Linker type: Other Incubation time (hours): 4 Cells: RS4;11 EC50 (cells): = 88.5 nM Off-targets reported?: No Comments: Light-activated PROTAC. The cis form is active. Tested Cullin-RING inhibitors (MLN4924), which proved that PROTAC is UPS-dependent. Contributed by: Yangwode Jing
Calculated Values
MW: 949.49 Hbond donors: 3 Hbond acceptors: 15 cLogP: 6.86 TPSA: 220.16 SMILES: show O=C(NCCCCCNC(COC1=C(OC)C=C(/N=N/C2=CC=CC3=C2CN(C(CC4)C(NC4=O)=O)C3=O)C=C1OC)=O)C[C@H]5C6=NN=C(C)N6C7=C(C(C)=C(C)S7)C(C8=CC=C(Cl)C=C8)=N5 Linker type: Other Incubation time (hours): 4 Cells: RS4;11 Off-targets reported?: No Comments: Light-activated PROTAC. The cis form is active. Contributed by: Yangwode Jing
Calculated Values
MW: 963.52 Hbond donors: 3 Hbond acceptors: 15 cLogP: 7.26 TPSA: 220.16 SMILES: show O=C(NCCCCCCNC(COC1=C(OC)C=C(/N=N/C2=CC=CC3=C2CN(C(CC4)C(NC4=O)=O)C3=O)C=C1OC)=O)C[C@H]5C6=NN=C(C)N6C7=C(C(C)=C(C)S7)C(C8=CC=C(Cl)C=C8)=N5 Linker type: Other Incubation time (hours): 4 Cells: RS4;11 Off-targets reported?: No Comments: Light-activated PROTAC. The cis form is active. Contributed by: Yangwode Jing
Calculated Values
MW: 907.41 Hbond donors: 3 Hbond acceptors: 15 cLogP: 5.69 TPSA: 220.16 SMILES: show O=C(NCCNC(COC1=C(OC)C=C(/N=N/C2=CC=CC3=C2CN([C@@H](CC4)C(NC4=O)=O)C3=O)C=C1OC)=O)C[C@H]5C6=NN=C(C)N6C7=C(C(C)=C(C)S7)C(C8=CC=C(Cl)C=C8)=N5 Linker type: Other Incubation time (hours): 4 Cells: RS4;11 Off-targets reported?: No Comments: Light-activated PROTAC. The cis form is active. Contributed by: Yangwode Jing
Calculated Values
MW: 921.44 Hbond donors: 3 Hbond acceptors: 15 cLogP: 6.08 TPSA: 220.16 SMILES: show O=C(NCCCNC(COC1=C(OC)C=C(/N=N/C2=CC=CC3=C2CN(C(CC4)C(NC4=O)=O)C3=O)C=C1OC)=O)C[C@H]5C6=NN=C(C)N6C7=C(C(C)=C(C)S7)C(C8=CC=C(Cl)C=C8)=N5 Linker type: Other Incubation time (hours): 4 Cells: RS4;11 Off-targets reported?: No Comments: Light-activated PROTAC. The cis form is active. Contributed by: Yangwode Jing
Calculated Values
MW: 875.41 Hbond donors: 3 Hbond acceptors: 13 cLogP: 6.46 TPSA: 201.70 SMILES: show O=C(NCCCCNC(COC1=CC=C(/N=N/C2=CC=CC3=C2CN(C(CC4)C(NC4=O)=O)C3=O)C=C1)=O)C[C@H]5C6=NN=C(C)N6C7=C(C(C)=C(C)S7)C(C8=CC=C(Cl)C=C8)=N5 Linker type: Other Incubation time (hours): 4 Cells: RS4;11 Off-targets reported?: No Comments: Light-activated PROTAC. The cis form is active. Contributed by: Yangwode Jing
Calculated Values
MW: 903.47 Hbond donors: 3 Hbond acceptors: 13 cLogP: 7.24 TPSA: 201.70 SMILES: show O=C(NCCCCCCNC(COC1=CC=C(/N=N/C2=CC=CC3=C2CN(C(CC4)C(NC4=O)=O)C3=O)C=C1)=O)C[C@H]5C6=NN=C(C)N6C7=C(C(C)=C(C)S7)C(C8=CC=C(Cl)C=C8)=N5 Linker type: Other Incubation time (hours): 4 Cells: RS4;11 Off-targets reported?: No Comments: Light-activated PROTAC. The cis form is active. Contributed by: Yangwode Jing
Calculated Values
MW: 847.36 Hbond donors: 3 Hbond acceptors: 13 cLogP: 5.68 TPSA: 201.70 SMILES: show O=C(NCCNC(COC1=CC=C(/N=N/C2=CC=CC3=C2CN(C(CC4)C(NC4=O)=O)C3=O)C=C1)=O)C[C@@H]5C6=NN=C(C)N6C7=C(C(C)=C(C)S7)C(C8=CC=C(Cl)C=C8)=N5 Linker type: Other Incubation time (hours): 4 Cells: RS4;11 Off-targets reported?: No Comments: Light-activated PROTAC. The cis form is active. Contributed by: Yangwode Jing |