Calculated Values
MW: 757.76 Hbond donors: 2 Hbond acceptors: 12 cLogP: 3.73 TPSA: 202.17 SMILES: show CC1=NOC(C)=C1C2=CC=C3C(C(C4=CC=CC=C4)N(CC5=CN(COCC(NC6=C7C(C(N(C8CCC(NC8=O)=O)C7=O)=O)=CC=C6)=O)N=N5)C(N3C)=O)=C2 Linker type: PEG Cells: THP-1 IC50: = 41.8 nM EC50 (cells): = 0.81 μM Comments: IC50 of PROTAC with error of ± 7.8 nM Contributed by: Shimrit Azulay, Daniel Zaidman
Calculated Values
MW: 845.87 Hbond donors: 2 Hbond acceptors: 14 cLogP: 3.76 TPSA: 220.63 SMILES: show CC1=NOC(C)=C1C2=CC=C3C(C(C4=CC=CC=C4)N(CC5=CN(CCOCOCCOCC(NC6=C7C(C(N(C8CCC(NC8=O)=O)C7=O)=O)=CC=C6)=O)N=N5)C(N3C)=O)=C2 Linker type: PEG Cells: THP-1 IC50: = 68.5 nM EC50 (cells): = 1.75 μM Comments: IC50 of PROTAC with error of ± 8.5 nM Contributed by: Shimrit Azulay
Calculated Values
MW: 815.84 Hbond donors: 2 Hbond acceptors: 13 cLogP: 3.78 TPSA: 211.40 SMILES: show CC1=NOC(C)=C1C2=CC=C3C(C(C4=CC=CC=C4)N(CC5=CN(CCOCCOCC(NC6=C7C(C(N(C8CCC(NC8=O)=O)C7=O)=O)=CC=C6)=O)N=N5)C(N3C)=O)=C2 Linker type: PEG Cells: THP-1 IC50: = 67.7 nM EC50 (cells): = 1.66 μM Comments: IC50 of PROTAC with error of ± 9.0 nM Contributed by: Shimrit Azulay
Calculated Values
MW: 875.90 Hbond donors: 2 Hbond acceptors: 15 cLogP: 3.73 TPSA: 229.86 SMILES: show CC1=NOC(C)=C1C2=CC=C3C(C(C4=CC=CC=C4)N(CC5=CN(CCOCOCOCCOCC(NC6=C7C(C(N(C8CCC(NC8=O)=O)C7=O)=O)=CC=C6)=O)N=N5)C(N3C)=O)=C2 Linker type: PEG IC50: = 173.4 nM Comments: IC50 of PROTAC with error of ± 23.2 nM Contributed by: Shimrit Azulay |
Calculated Values
MW: 743.78 Hbond donors: 2 Hbond acceptors: 11 cLogP: 4.09 TPSA: 185.10 SMILES: show CC1=NOC(C)=C1C2=CC=C3C(C(C4=CC=CC=C4)N(CC5=CN(COCC(NC6=C7C(C(N(C8CCC(NC8=O)=O)C7)=O)=CC=C6)=O)N=N5)C(N3C)=O)=C2 Linker type: PEG Cells: THP-1 IC50: = 14.2 nM EC50 (cells): = 1.83 μM Comments: IC50 of PROTAC with error of ± 1.6 nM Contributed by: Shimrit Azulay
Calculated Values
MW: 861.91 Hbond donors: 2 Hbond acceptors: 14 cLogP: 4.09 TPSA: 212.79 SMILES: show CC1=NOC(C)=C1C2=CC=C3C(C(C4=CC=CC=C4)N(CC5=CN(CCOCOCOCCOCC(NC6=C7C(C(N(C8CCC(NC8=O)=O)C7)=O)=CC=C6)=O)N=N5)C(N3C)=O)=C2 Linker type: PEG IC50: = 22.6 nM Comments: IC50 of PROTAC with error of ± 3.7 nM Contributed by: Shimrit Azulay
Calculated Values
MW: 702.81 Hbond donors: 2 Hbond acceptors: 7 cLogP: 6.27 TPSA: 145.16 SMILES: show CC1=NOC(C)=C1C2=CC=C3C(C(C4=CC=CC=C4)N(CCCCCCC(NC5=C6C(C(N(C7CCC(NC7=O)=O)C6)=O)=CC=C5)=O)C(N3C)=O)=C2 Linker type: Alkane IC50: = 118.2 nM Comments: IC50 of PROTAC with error of ± 12.6 nM Contributed by: Shimrit Azulay
Calculated Values
MW: 703.76 Hbond donors: 3 Hbond acceptors: 8 cLogP: 3.83 TPSA: 174.26 SMILES: show CC1=NOC(C)=C1C2=CC=C3C(C(C4=CC=CC=C4)N(CC(NCCC(NC5=C6C(C(N(C7CCC(NC7=O)=O)C6)=O)=CC=C5)=O)=O)C(N3C)=O)=C2 Linker type: Alkane IC50: = 132.2 nM Comments: IC50 of PROTAC with error of ± 13.8 nM Contributed by: Shimrit Azulay
Calculated Values
MW: 773.89 Hbond donors: 3 Hbond acceptors: 8 cLogP: 5.78 TPSA: 174.26 SMILES: show CC1=NOC(C)=C1C2=CC=C3C(C(C4=CC=CC=C4)N(CC(NCCCCCCCC(NC5=C6C(C(N(C7CCC(NC7=O)=O)C6)=O)=CC=C5)=O)=O)C(N3C)=O)=C2 Linker type: Alkane IC50: = 68.3 nM Comments: IC50 of PROTAC with error of ± 7.1 nM Contributed by: Shimrit Azulay
Calculated Values
MW: 759.86 Hbond donors: 3 Hbond acceptors: 8 cLogP: 5.39 TPSA: 174.26 SMILES: show CC1=NOC(C)=C1C2=CC=C3C(C(C4=CC=CC=C4)N(CC(NCCCCCCC(NC5=C6C(C(N(C7CCC(NC7=O)=O)C6)=O)=CC=C5)=O)=O)C(N3C)=O)=C2 Linker type: Alkane IC50: = 80.6 nM Comments: IC50 of PROTAC with error of ± 6.5 nM Contributed by: Shimrit Azulay
Calculated Values
MW: 745.84 Hbond donors: 3 Hbond acceptors: 8 cLogP: 5.00 TPSA: 174.26 SMILES: show CC1=NOC(C)=C1C2=CC=C3C(C(C4=CC=CC=C4)N(CC(NCCCCCC(NC5=C6C(C(N(C7CCC(NC7=O)=O)C6)=O)=CC=C5)=O)=O)C(N3C)=O)=C2 Linker type: Alkane IC50: = 99.1 nM Comments: IC50 of PROTAC with error of ± 8.7 nM Contributed by: Shimrit Azulay
Calculated Values
MW: 801.86 Hbond donors: 2 Hbond acceptors: 12 cLogP: 4.14 TPSA: 194.33 SMILES: show CC1=NOC(C)=C1C2=CC=C3C(C(C4=CC=CC=C4)N(CC5=CN(CCOCCOCC(NC6=C7C(C(N(C8CCC(NC8=O)=O)C7)=O)=CC=C6)=O)N=N5)C(N3C)=O)=C2 Linker type: PEG IC50: = 15.4 nM Comments: IC50 of PROTAC with error of ± 2.3 nM Contributed by: Shimrit Azulay
Calculated Values
MW: 674.76 Hbond donors: 2 Hbond acceptors: 7 cLogP: 5.49 TPSA: 145.16 SMILES: show CC1=NOC(C)=C1C2=CC=C3C(C(C4=CC=CC=C4)N(CCCCC(NC5=C6C(C(N(C7CCC(NC7=O)=O)C6)=O)=CC=C5)=O)C(N3C)=O)=C2 Linker type: Alkane IC50: = 143.7 nM Comments: IC50 of PROTAC with error of ± 13.6 nM Contributed by: Shimrit Azulay
Calculated Values
MW: 717.78 Hbond donors: 3 Hbond acceptors: 8 cLogP: 4.22 TPSA: 174.26 SMILES: show CC1=NOC(C)=C1C2=CC=C3C(C(C4=CC=CC=C4)N(CC(NCCCC(NC5=C6C(C(N(C7CCC(NC7=O)=O)C6)=O)=CC=C5)=O)=O)C(N3C)=O)=C2 Linker type: Alkane IC50: = 138.4 nM Comments: IC50 of PROTAC with error of ± 15.4 nM Contributed by: Shimrit Azulay
Calculated Values
MW: 831.89 Hbond donors: 2 Hbond acceptors: 13 cLogP: 4.12 TPSA: 203.56 SMILES: show CC1=NOC(C)=C1C2=CC=C3C(C(C4=CC=CC=C4)N(CC5=CN(CCOCOCCOCC(NC6=C7C(C(N(C8CCC(NC8=O)=O)C7)=O)=CC=C6)=O)N=N5)C(N3C)=O)=C2 Linker type: PEG IC50: = 22.1 nM Comments: IC50 of PROTAC with error of ± 2.9 nM Contributed by: Shimrit Azulay
Calculated Values
MW: 688.79 Hbond donors: 2 Hbond acceptors: 7 cLogP: 5.88 TPSA: 145.16 SMILES: show CC1=NOC(C)=C1C2=CC=C3C(C(C4=CC=CC=C4)N(CCCCCC(NC5=C6C(C(N(C7CCC(NC7=O)=O)C6)=O)=CC=C5)=O)C(N3C)=O)=C2 Linker type: Alkane IC50: = 135.1 nM Comments: IC50 of PROTAC with error of ± 14.0 nM Contributed by: Shimrit Azulay
Calculated Values
MW: 731.81 Hbond donors: 3 Hbond acceptors: 8 cLogP: 4.61 TPSA: 174.26 SMILES: show CC1=NOC(C)=C1C2=CC=C3C(C(C4=CC=CC=C4)N(CC(NCCCCC(NC5=C6C(C(N(C7CCC(NC7=O)=O)C6)=O)=CC=C5)=O)=O)C(N3C)=O)=C2 Linker type: Alkane IC50: = 133.6 nM Comments: IC50 of PROTAC with error of ± 14.2 nM Contributed by: Shimrit Azulay |