Calculated Values
MW: 855.02 Hbond donors: 2 Hbond acceptors: 15 cLogP: 5.03 TPSA: 193.44 SMILES: show CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(Cc5cn(CCCCCCc6cccc7c6CN(C6CCC(=O)NC6=O)C7=O)nn5)CC4)cn3)nc2n(C2CCCC2)c1=O Linker type: Other DC50: = 1.7 nM Off-targets reported?: No Comments: DC50 for CDK4 > 50 nM Contributed by: Efrat Resnick |
Calculated Values
MW: 977.05 Hbond donors: 3 Hbond acceptors: 19 cLogP: 4.28 TPSA: 228.98 SMILES: show Cc1nc2c(F)cc(-c3nc(Nc4ccc(CN5CCN(c6cn(CCOCCOCCOCCNc7cccc8c7C(=O)N(C7CCC(=O)NC7=O)C8=O)nn6)CC5)cn4)ncc3F)cc2n1C(C)C Linker type: Other DC50: = 271.9 nM Off-targets reported?: No Comments: DC50 for CDK4 > 500 nM Contributed by: Efrat Resnick
Calculated Values
MW: 888.94 Hbond donors: 3 Hbond acceptors: 17 cLogP: 4.24 TPSA: 210.52 SMILES: show Cc1nc2c(F)cc(-c3nc(Nc4ccc(CN5CCN(c6cn(CCOCCNc7cccc8c7C(=O)N(C7CCC(=O)NC7=O)C8=O)nn6)CC5)cn4)ncc3F)cc2n1C(C)C Linker type: Other DC50: = 8.6 nM Off-targets reported?: No Comments: DC50 for CDK4 > 500 nM Contributed by: Efrat Resnick
Calculated Values
MW: 1,021.10 Hbond donors: 3 Hbond acceptors: 20 cLogP: 4.29 TPSA: 238.21 SMILES: show Cc1nc2c(F)cc(-c3nc(Nc4ccc(CN5CCN(c6cn(CCOCCOCCOCCOCCNc7cccc8c7C(=O)N(C7CCC(=O)NC7=O)C8=O)nn6)CC5)cn4)ncc3F)cc2n1C(C)C Linker type: Other DC50: = 145.5 nM Off-targets reported?: No Comments: DC50 for CDK4 > 500 nM Contributed by: Efrat Resnick
Calculated Values
MW: 932.99 Hbond donors: 3 Hbond acceptors: 18 cLogP: 4.26 TPSA: 219.75 SMILES: show Cc1nc2c(F)cc(-c3nc(Nc4ccc(CN5CCN(c6cn(CCOCCOCCNc7cccc8c7C(=O)N(C7CCC(=O)NC7=O)C8=O)nn6)CC5)cn4)ncc3F)cc2n1C(C)C Linker type: Other DC50: = 129.7 nM Off-targets reported?: No Comments: DC50 for CDK4 > 500 nM Contributed by: Efrat Resnick |
Calculated Values
MW: 871.96 Hbond donors: 3 Hbond acceptors: 18 cLogP: 3.00 TPSA: 231.77 SMILES: show CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(Cc5cn(CCOCCNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)nn5)CC4)cn3)nc2n(C2CCCC2)c1=O Linker type: Other Cells: U251 DC50: = 2.1 nM Dmax: = 89 % Off-targets reported?: No Comments: DC50 for CDK4 > 100 nM. EC50 of PROTAC is 10nM in MM.lS 8nM in Mino. Contributed by: Efrat Resnick
Calculated Values
MW: 864.97 Hbond donors: 2 Hbond acceptors: 16 cLogP: 4.09 TPSA: 210.51 SMILES: show CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(Cc5cn(CCCCC#Cc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)nn5)CC4)cn3)nc2n(C2CCCC2)c1=O Linker type: Other DC50: = 81.6 nM Off-targets reported?: No Comments: DC50 for CDK4 > 100 nM Contributed by: Efrat Resnick
Calculated Values
MW: 834.93 Hbond donors: 3 Hbond acceptors: 16 cLogP: 3.22 TPSA: 210.29 SMILES: show CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(CCOCCOCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cn3)nc2n(C2CCCC2)c1=O Linker type: Other DC50: = 1.6 nM Off-targets reported?: No Comments: DC50 for CDK4 > 100 nM Contributed by: Efrat Resnick
Calculated Values
MW: 980.09 Hbond donors: 4 Hbond acceptors: 19 cLogP: 2.37 TPSA: 257.85 SMILES: show CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(CC(=O)NCCOCCOCCOCCOCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cn3)nc2n(C2CCCC2)c1=O Linker type: Other DC50: = 31 nM Off-targets reported?: No Comments: DC50 for CDK4 > 100 nM Contributed by: Efrat Resnick
Calculated Values
MW: 1,004.12 Hbond donors: 3 Hbond acceptors: 21 cLogP: 3.05 TPSA: 259.46 SMILES: show CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(Cc5cn(CCOCCOCCOCCOCCNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)nn5)CC4)cn3)nc2n(C2CCCC2)c1=O Linker type: Other Off-targets reported?: No Contributed by: Efrat Resnick
Calculated Values
MW: 884.01 Hbond donors: 3 Hbond acceptors: 17 cLogP: 4.54 TPSA: 222.54 SMILES: show CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(Cc5cn(CCCCCCNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)nn5)CC4)cn3)nc2n(C2CCCC2)c1=O Linker type: Other DC50: = 10.6 nM Off-targets reported?: No Comments: DC50 for CDK4 > 100 nM Contributed by: Efrat Resnick
Calculated Values
MW: 891.99 Hbond donors: 4 Hbond acceptors: 17 cLogP: 2.34 TPSA: 239.39 SMILES: show CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(CC(=O)NCCOCCOCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cn3)nc2n(C2CCCC2)c1=O Linker type: Other DC50: = 24.2 nM Off-targets reported?: No Comments: DC50 for CDK4 > 100 nM Contributed by: Efrat Resnick
Calculated Values
MW: 878.99 Hbond donors: 2 Hbond acceptors: 16 cLogP: 4.48 TPSA: 210.51 SMILES: show CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(Cc5cn(CCCCCC#Cc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)nn5)CC4)cn3)nc2n(C2CCCC2)c1=O Linker type: Other DC50: = 86.8 nM Off-targets reported?: No Comments: DC50 for CDK4 > 100 nM Contributed by: Efrat Resnick
Calculated Values
MW: 960.07 Hbond donors: 3 Hbond acceptors: 20 cLogP: 3.03 TPSA: 250.23 SMILES: show CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(Cc5cn(CCOCCOCCOCCNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)nn5)CC4)cn3)nc2n(C2CCCC2)c1=O Linker type: Other Off-targets reported?: No Contributed by: Efrat Resnick
Calculated Values
MW: 869.99 Hbond donors: 3 Hbond acceptors: 17 cLogP: 4.15 TPSA: 222.54 SMILES: show CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(Cc5cn(CCCCCNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)nn5)CC4)cn3)nc2n(C2CCCC2)c1=O Linker type: Other DC50: = 5.3 nM Off-targets reported?: No Comments: DC50 for CDK4 > 100 nM Contributed by: Efrat Resnick
Calculated Values
MW: 916.01 Hbond donors: 3 Hbond acceptors: 19 cLogP: 3.02 TPSA: 241.00 SMILES: show CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(Cc5cn(CCOCCOCCNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)nn5)CC4)cn3)nc2n(C2CCCC2)c1=O Linker type: Other Off-targets reported?: No Contributed by: Efrat Resnick
Calculated Values
MW: 847.93 Hbond donors: 4 Hbond acceptors: 16 cLogP: 2.32 TPSA: 230.16 SMILES: show CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(CC(=O)NCCOCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cn3)nc2n(C2CCCC2)c1=O Linker type: Other DC50: = 1.1 nM Off-targets reported?: No Comments: DC50 for CDK4 > 100 nM Contributed by: Efrat Resnick |
Calculated Values
MW: 1,128.37 Hbond donors: 5 Hbond acceptors: 20 cLogP: 4.62 TPSA: 276.92 SMILES: show CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(Cc5cn(CCOCCNC(=O)CCC(=O)NC(C(=O)N6C[C@H](O)C[C@H]6C(=O)NCc6ccc(-c7scnc7C)cc6)C(C)(C)C)nn5)CC4)cn3)nc2n(C2CCCC2)c1=O Linker type: Other Off-targets reported?: No Contributed by: Efrat Resnick
Calculated Values
MW: 1,172.43 Hbond donors: 5 Hbond acceptors: 21 cLogP: 4.64 TPSA: 286.15 SMILES: show CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(Cc5cn(CCOCCOCCNC(=O)CCC(=O)NC(C(=O)N6C[C@H](O)C[C@H]6C(=O)NCc6ccc(-c7scnc7C)cc6)C(C)(C)C)nn5)CC4)cn3)nc2n(C2CCCC2)c1=O Linker type: Other Off-targets reported?: No Contributed by: Efrat Resnick
Calculated Values
MW: 1,216.48 Hbond donors: 5 Hbond acceptors: 22 cLogP: 4.66 TPSA: 295.38 SMILES: show CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(Cc5cn(CCOCCOCCOCCNC(=O)CCC(=O)NC(C(=O)N6C[C@H](O)C[C@H]6C(=O)NCc6ccc(-c7scnc7C)cc6)C(C)(C)C)nn5)CC4)cn3)nc2n(C2CCCC2)c1=O Linker type: Other Off-targets reported?: No Contributed by: Efrat Resnick
Calculated Values
MW: 1,260.53 Hbond donors: 5 Hbond acceptors: 23 cLogP: 4.67 TPSA: 304.61 SMILES: show CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(Cc5cn(CCOCCOCCOCCOCCNC(=O)CCC(=O)NC(C(=O)N6C[C@H](O)C[C@H]6C(=O)NCc6ccc(-c7scnc7C)cc6)C(C)(C)C)nn5)CC4)cn3)nc2n(C2CCCC2)c1=O Linker type: Other Off-targets reported?: No Contributed by: Efrat Resnick |
Calculated Values
MW: 1,281.32 Hbond donors: 2 Hbond acceptors: 20 cLogP: 8.23 TPSA: 249.20 SMILES: show COc1ccc(C2=N[C@H](c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N2C(=O)N2CCN(CC(=O)NCCOCCOCCn3cc(CN4CCN(c5ccc(Nc6ncc7c(C)c(C(C)=O)c(=O)n(C8CCCC8)c7n6)nc5)CC4)nn3)C(=O)C2)c(OC(C)C)c1 Linker type: Other Off-targets reported?: No Contributed by: Efrat Resnick
Calculated Values
MW: 1,325.37 Hbond donors: 2 Hbond acceptors: 21 cLogP: 8.25 TPSA: 258.43 SMILES: show COc1ccc(C2=N[C@H](c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N2C(=O)N2CCN(CC(=O)NCCOCCOCCOCCn3cc(CN4CCN(c5ccc(Nc6ncc7c(C)c(C(C)=O)c(=O)n(C8CCCC8)c7n6)nc5)CC4)nn3)C(=O)C2)c(OC(C)C)c1 Linker type: Other Off-targets reported?: No Contributed by: Efrat Resnick
Calculated Values
MW: 1,237.26 Hbond donors: 2 Hbond acceptors: 19 cLogP: 8.21 TPSA: 239.97 SMILES: show COc1ccc(C2=N[C@H](c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N2C(=O)N2CCN(CC(=O)NCCOCCn3cc(CN4CCN(c5ccc(Nc6ncc7c(C)c(C(C)=O)c(=O)n(C8CCCC8)c7n6)nc5)CC4)nn3)C(=O)C2)c(OC(C)C)c1 Linker type: Other Off-targets reported?: No Contributed by: Efrat Resnick |
Calculated Values
MW: 947.07 Hbond donors: 3 Hbond acceptors: 19 cLogP: 2.86 TPSA: 236.40 SMILES: show CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCN(Cc5cn(CCOCCOCCOCCNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)nn5)CC4)cn3)nc2n1C1CCCC1 Linker type: Other Off-targets reported?: No Contributed by: Efrat Resnick
Calculated Values
MW: 858.96 Hbond donors: 3 Hbond acceptors: 17 cLogP: 2.83 TPSA: 217.94 SMILES: show CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCN(Cc5cn(CCOCCNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)nn5)CC4)cn3)nc2n1C1CCCC1 Linker type: Other Off-targets reported?: No Contributed by: Efrat Resnick
Calculated Values
MW: 903.02 Hbond donors: 3 Hbond acceptors: 18 cLogP: 2.85 TPSA: 227.17 SMILES: show CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCN(Cc5cn(CCOCCOCCNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)nn5)CC4)cn3)nc2n1C1CCCC1 Linker type: Other Off-targets reported?: No Contributed by: Efrat Resnick |