Calculated Values
MW: 1,089.80 Hbond donors: 5 Hbond acceptors: 12 cLogP: 9.78 TPSA: 228.88 SMILES: show Cc1cc([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)NCCCCCCCCCNC(=O)c2ccc(C(=O)N[C@H]3C(C)(C)[C@H](Oc4ccc(C#N)c(Cl)c4)C3(C)C)cc2)c2ccc(-c3scnc3C)cc2)C(C)C)on1 Linker type: Alkane Incubation time (hours): 6 Cells: LNCaP Dmax: = 96 % Off-targets reported?: No Contributed by: Daniel Zaidman
Calculated Values
MW: 1,095.81 Hbond donors: 3 Hbond acceptors: 12 cLogP: 9.26 TPSA: 194.23 SMILES: show Cc1cc([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)N2CCC(N3CCC(C#Cc4ccc(C(=O)N[C@H]5C(C)(C)[C@H](Oc6ccc(C#N)c(Cl)c6)C5(C)C)cc4)CC3)CC2)c2ccc(-c3scnc3C)cc2)C(C)C)on1 Linker type: Other Incubation time (hours): 6 Cells: LNCaP Dmax: = 99 % Off-targets reported?: No Contributed by: Daniel Zaidman |
Calculated Values
MW: 1,034.73 Hbond donors: 2 Hbond acceptors: 12 cLogP: 9.04 TPSA: 173.72 SMILES: show Cc1cc([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)N2CCC(N3CCC(C#Cc4ccc(Cc5c(C)nn(-c6ccc(C#N)c(Cl)c6)c5C)cc4)CC3)CC2)c2ccc(-c3scnc3C)cc2)C(C)C)on1 Linker type: Other Incubation time (hours): 6 Cells: LNCaP Dmax: = 93 % Off-targets reported?: No Contributed by: Daniel Zaidman |
Calculated Values
MW: 1,136.86 Hbond donors: 4 Hbond acceptors: 12 cLogP: 8.35 TPSA: 221.09 SMILES: show Cc1ncsc1-c1ccc([C@H](CC(=O)N2CCC(N3CCC(C#Cc4ccc(C(=O)N[C@H]5C(C)(C)[C@H](Oc6ccc(C#N)c(Cl)c6)C5(C)C)cc4)CC3)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(C#N)CC2)C(C)(C)C)cc1 Linker type: Other Incubation time (hours): 6 Cells: LNCaP Dmax: = 100 % Off-targets reported?: No Contributed by: Daniel Zaidman |
Calculated Values
MW: 1,087.31 Hbond donors: 3 Hbond acceptors: 12 cLogP: 7.99 TPSA: 178.34 SMILES: show Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCN2CCN(c3ccc(C#Cc4ccc(N5C(=S)N(c6ccc(C#N)c(C(F)(F)F)c6)C(=O)C5(C)C)cc4)cn3)CC2)C(C)(C)C)cc1 Linker type: Other Incubation time (hours): 6 Cells: LNCaP Dmax: = 92 % Off-targets reported?: No Contributed by: Daniel Zaidman
Calculated Values
MW: 1,059.25 Hbond donors: 3 Hbond acceptors: 12 cLogP: 7.21 TPSA: 178.34 SMILES: show Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CN2CCN(c3ccc(C#Cc4ccc(N5C(=S)N(c6ccc(C#N)c(C(F)(F)F)c6)C(=O)C5(C)C)cc4)cn3)CC2)C(C)(C)C)cc1 Linker type: Other Incubation time (hours): 6 Cells: LNCaP Dmax: = 31 % Off-targets reported?: No Contributed by: Daniel Zaidman
Calculated Values
MW: 1,073.28 Hbond donors: 3 Hbond acceptors: 12 cLogP: 7.60 TPSA: 178.34 SMILES: show Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCN2CCN(c3ccc(C#Cc4ccc(N5C(=S)N(c6ccc(C#N)c(C(F)(F)F)c6)C(=O)C5(C)C)cc4)cn3)CC2)C(C)(C)C)cc1 Linker type: Other Incubation time (hours): 6 Cells: LNCaP Dmax: = 78 % Off-targets reported?: No Contributed by: Daniel Zaidman
Calculated Values
MW: 1,101.33 Hbond donors: 3 Hbond acceptors: 12 cLogP: 8.38 TPSA: 178.34 SMILES: show Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCN2CCN(c3ccc(C#Cc4ccc(N5C(=S)N(c6ccc(C#N)c(C(F)(F)F)c6)C(=O)C5(C)C)cc4)cn3)CC2)C(C)(C)C)cc1 Linker type: Other Incubation time (hours): 6 Cells: LNCaP Dmax: = 89 % Off-targets reported?: No Contributed by: Daniel Zaidman
Calculated Values
MW: 1,045.23 Hbond donors: 3 Hbond acceptors: 11 cLogP: 7.81 TPSA: 178.34 SMILES: show Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)N2CCN(c3ccc(C#Cc4ccc(N5C(=S)N(c6ccc(C#N)c(C(F)(F)F)c6)C(=O)C5(C)C)cc4)cn3)CC2)C(C)(C)C)cc1 Linker type: Other Incubation time (hours): 6 Cells: LNCaP Dmax: = 12 % Off-targets reported?: No Contributed by: Daniel Zaidman |
Calculated Values
MW: 1,085.81 Hbond donors: 4 Hbond acceptors: 11 cLogP: 8.07 TPSA: 197.30 SMILES: show CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CC(=O)N1CCC(N2CCC(C#Cc3ccc(C(=O)N[C@H]4C(C)(C)[C@H](Oc5ccc(C#N)c(Cl)c5)C4(C)C)cc3)CC2)CC1)c1ccc(-c2scnc2C)cc1)C(C)(C)C Linker type: Other Incubation time (hours): 6 Cells: LNCaP Dmax: = 99 % Off-targets reported?: No Contributed by: Daniel Zaidman |
Calculated Values
MW: 1,109.31 Hbond donors: 4 Hbond acceptors: 13 cLogP: 7.51 TPSA: 222.30 SMILES: show Cc1cc([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)N2CCC(N3CCC(C#Cc4ccc(S(=O)CC(C)(O)C(=O)Nc5ccc(C#N)c(C(F)(F)F)c5)cc4)CC3)CC2)c2ccc(-c3scnc3C)cc2)C(C)C)on1 Linker type: Other Incubation time (hours): 6 Cells: LNCaP Dmax: = 35 % Off-targets reported?: No Contributed by: Daniel Zaidman |
Calculated Values
MW: 1,115.32 Hbond donors: 2 Hbond acceptors: 13 cLogP: 8.46 TPSA: 192.34 SMILES: show Cc1cc([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)N2CCC(N3CCC(C#Cc4ccc(N5C(=S)N(c6cnc(C#N)c(C(F)(F)F)c6)C(=O)C56CCC6)cc4)CC3)CC2)c2ccc(-c3scnc3C)cc2)C(C)C)on1 Linker type: Other Incubation time (hours): 6 Cells: LNCaP Dmax: = 95 % Off-targets reported?: No Contributed by: Daniel Zaidman |
Calculated Values
MW: 1,129.84 Hbond donors: 4 Hbond acceptors: 11 cLogP: 8.55 TPSA: 197.30 SMILES: show Cc1ncsc1-c1ccc([C@H](CC(=O)N2CCC(N3CCC(C#Cc4ccc(C(=O)N[C@H]5C(C)(C)[C@H](Oc6ccc(C#N)c(Cl)c6)C5(C)C)cc4)CC3)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)cc1 Linker type: Other Incubation time (hours): 6,24 Cells: LNCaP, VCaP, and 22Rv DC50: < 10.4 nM Dmax: > 95 % Off-targets reported?: No Comments: DC50 is 0.86nM in LNCaP, 0.76 in VCaP and 10.4 nM at 1uM in 22Rv1. EC50 in cells is 0.25nM for LNCaP, 0.34 nM for VCaP, 183nM for 22Rv1. Contributed by: Daniel Zaidman |
Calculated Values
MW: 1,023.15 Hbond donors: 4 Hbond acceptors: 12 cLogP: 6.03 TPSA: 206.53 SMILES: show Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCOCCNC(=O)c2ccc(N3C(=S)N(c4ccc(C#N)c(C(F)(F)F)c4)C(=O)C3(C)C)cc2F)C(C)(C)C)cc1 Linker type: PEG Incubation time (hours): 6 Cells: LNCaP Dmax: = 40 % Off-targets reported?: No Comments: EC50 of ligand is LNCaP 25 nM, VCaP 87.4 nM, 22RV1 > 10 uM Contributed by: Daniel Zaidman
Calculated Values
MW: 949.07 Hbond donors: 4 Hbond acceptors: 10 cLogP: 6.38 TPSA: 188.07 SMILES: show Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCNC(=O)c2ccc(N3C(=S)N(c4ccc(C#N)c(C(F)(F)F)c4)C(=O)C3(C)C)cc2F)C(C)(C)C)cc1 Linker type: Alkane Incubation time (hours): 6 Cells: LNCaP Dmax: = 33 % Off-targets reported?: No Comments: EC50 of ligand is LNCaP 25 nM, VCaP 87.4 nM, 22RV1 > 10 uM Contributed by: Daniel Zaidman
Calculated Values
MW: 1,073.28 Hbond donors: 3 Hbond acceptors: 12 cLogP: 7.43 TPSA: 178.34 SMILES: show Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCN2CCN(c3ccc(C#Cc4ccc(N5C(=S)N(c6ccc(C#N)c(C(F)(F)F)c6)C(=O)C5(C)C)cc4)cn3)CC2)C(C)(C)C)cc1 Linker type: Other Incubation time (hours): 6 Cells: LNCaP Dmax: = 80 % Off-targets reported?: No Contributed by: Daniel Zaidman
Calculated Values
MW: 991.15 Hbond donors: 4 Hbond acceptors: 10 cLogP: 7.55 TPSA: 188.07 SMILES: show Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCNC(=O)c2ccc(N3C(=S)N(c4ccc(C#N)c(C(F)(F)F)c4)C(=O)C3(C)C)cc2F)C(C)(C)C)cc1 Linker type: Alkane Incubation time (hours): 6 Cells: LNCaP Dmax: = 84 % Off-targets reported?: No Comments: EC50 of ligand is LNCaP 25 nM, VCaP 87.4 nM, 22RV1 > 10 uM Contributed by: Daniel Zaidman
Calculated Values
MW: 1,033.23 Hbond donors: 4 Hbond acceptors: 10 cLogP: 8.72 TPSA: 188.07 SMILES: show Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCCNC(=O)c2ccc(N3C(=S)N(c4ccc(C#N)c(C(F)(F)F)c4)C(=O)C3(C)C)cc2F)C(C)(C)C)cc1 Linker type: Alkane Incubation time (hours): 6 Cells: LNCaP Dmax: = 88 % Off-targets reported?: No Comments: EC50 of ligand is LNCaP 25 nM, VCaP 87.4 nM, 22RV1 > 10 uM Contributed by: Daniel Zaidman
Calculated Values
MW: 1,061.28 Hbond donors: 4 Hbond acceptors: 10 cLogP: 9.50 TPSA: 188.07 SMILES: show Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCCCCNC(=O)c2ccc(N3C(=S)N(c4ccc(C#N)c(C(F)(F)F)c4)C(=O)C3(C)C)cc2F)C(C)(C)C)cc1 Linker type: Alkane Incubation time (hours): 6 Cells: LNCaP Dmax: = 75 % Off-targets reported?: No Comments: EC50 of ligand is LNCaP 25 nM, VCaP 87.4 nM, 22RV1 > 10 uM Contributed by: Daniel Zaidman
Calculated Values
MW: 1,047.26 Hbond donors: 4 Hbond acceptors: 10 cLogP: 9.11 TPSA: 188.07 SMILES: show Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCCCNC(=O)c2ccc(N3C(=S)N(c4ccc(C#N)c(C(F)(F)F)c4)C(=O)C3(C)C)cc2F)C(C)(C)C)cc1 Linker type: Alkane Incubation time (hours): 6 Cells: LNCaP Dmax: = 86 % Off-targets reported?: No Comments: EC50 of ligand is LNCaP 25 nM, VCaP 87.4 nM, 22RV1 > 10 uM Contributed by: Daniel Zaidman
Calculated Values
MW: 1,005.17 Hbond donors: 4 Hbond acceptors: 10 cLogP: 7.94 TPSA: 188.07 SMILES: show Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCNC(=O)c2ccc(N3C(=S)N(c4ccc(C#N)c(C(F)(F)F)c4)C(=O)C3(C)C)cc2F)C(C)(C)C)cc1 Linker type: Alkane Incubation time (hours): 6 Cells: LNCaP Dmax: = 65 % Off-targets reported?: No Comments: EC50 of ligand is LNCaP 25 nM, VCaP 87.4 nM, 22RV1 > 10 uM Contributed by: Daniel Zaidman
Calculated Values
MW: 1,019.20 Hbond donors: 4 Hbond acceptors: 10 cLogP: 8.33 TPSA: 188.07 SMILES: show Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCNC(=O)c2ccc(N3C(=S)N(c4ccc(C#N)c(C(F)(F)F)c4)C(=O)C3(C)C)cc2F)C(C)(C)C)cc1 Linker type: Alkane Incubation time (hours): 6 Cells: LNCaP Dmax: = 87 % Off-targets reported?: No Comments: EC50 of ligand is LNCaP 25 nM, VCaP 87.4 nM, 22RV1 > 10 uM Contributed by: Daniel Zaidman
Calculated Values
MW: 1,031.24 Hbond donors: 3 Hbond acceptors: 10 cLogP: 9.02 TPSA: 171.86 SMILES: show Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCc2ccc(C#Cc3ccc(N4C(=S)N(c5ccc(C#N)c(C(F)(F)F)c5)C(=O)C4(C)C)cc3)cn2)C(C)(C)C)cc1 Linker type: Other Incubation time (hours): 6 Cells: LNCaP Dmax: = 96 % Off-targets reported?: No Contributed by: Daniel Zaidman
Calculated Values
MW: 935.04 Hbond donors: 4 Hbond acceptors: 10 cLogP: 5.99 TPSA: 188.07 SMILES: show Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCNC(=O)c2ccc(N3C(=S)N(c4ccc(C#N)c(C(F)(F)F)c4)C(=O)C3(C)C)cc2F)C(C)(C)C)cc1 Linker type: Alkane Incubation time (hours): 6 Cells: LNCaP Dmax: = 35 % Off-targets reported?: No Comments: EC50 of ligand is LNCaP 25 nM, VCaP 87.4 nM, 22RV1 > 10 uM Contributed by: Daniel Zaidman
Calculated Values
MW: 977.12 Hbond donors: 4 Hbond acceptors: 10 cLogP: 7.16 TPSA: 188.07 SMILES: show Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCNC(=O)c2ccc(N3C(=S)N(c4ccc(C#N)c(C(F)(F)F)c4)C(=O)C3(C)C)cc2F)C(C)(C)C)cc1 Linker type: Alkane Incubation time (hours): 6 Cells: LNCaP Dmax: = 29 % Off-targets reported?: No Comments: EC50 of ligand is LNCaP 25 nM, VCaP 87.4 nM, 22RV1 > 10 uM Contributed by: Daniel Zaidman
Calculated Values
MW: 963.09 Hbond donors: 4 Hbond acceptors: 10 cLogP: 6.77 TPSA: 188.07 SMILES: show Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCNC(=O)c2ccc(N3C(=S)N(c4ccc(C#N)c(C(F)(F)F)c4)C(=O)C3(C)C)cc2F)C(C)(C)C)cc1 Linker type: Alkane Incubation time (hours): 6 Cells: LNCaP Dmax: = 25 % Off-targets reported?: No Comments: EC50 of ligand is LNCaP 25 nM, VCaP 87.4 nM, 22RV1 > 10 uM Contributed by: Daniel Zaidman |
Calculated Values
MW: 1,102.32 Hbond donors: 2 Hbond acceptors: 12 cLogP: 8.93 TPSA: 179.45 SMILES: show Cc1cc([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)N2CCC(N3CCC(C#Cc4ccc(N5C(=S)N(c6ccc(C#N)c(C(F)(F)F)c6)C(=O)C5(C)C)cc4)CC3)CC2)c2ccc(-c3scnc3C)cc2)C(C)C)on1 Linker type: Other Incubation time (hours): 6 Cells: LNCaP Dmax: = 97 % Off-targets reported?: No Contributed by: Daniel Zaidman
Calculated Values
MW: 1,097.26 Hbond donors: 2 Hbond acceptors: 13 cLogP: 8.31 TPSA: 192.34 SMILES: show Cc1cc([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)N2CCN(c3ccc(C#Cc4ccc(N5C(=S)N(c6ccc(C#N)c(C(F)(F)F)c6)C(=O)C5(C)C)cc4)cn3)CC2)c2ccc(-c3scnc3C)cc2)C(C)C)on1 Linker type: Other Incubation time (hours): 6 Cells: LNCaP Dmax: = 93 % Off-targets reported?: No Contributed by: Daniel Zaidman
Calculated Values
MW: 1,114.30 Hbond donors: 4 Hbond acceptors: 12 cLogP: 9.59 TPSA: 214.10 SMILES: show Cc1cc([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)NCCCCCCCCCNC(=O)c2ccc(N3C(=S)N(c4ccc(C#N)c(C(F)(F)F)c4)C(=O)C3(C)C)cc2F)c2ccc(-c3scnc3C)cc2)C(C)C)on1 Linker type: Alkane Incubation time (hours): 6 Cells: LNCaP Dmax: = 87 % Off-targets reported?: No Comments: EC50 of ligand is LNCaP 25 nM, VCaP 87.4 nM, 22RV1 > 10 uM Contributed by: Daniel Zaidman
Calculated Values
MW: 1,154.35 Hbond donors: 3 Hbond acceptors: 14 cLogP: 8.29 TPSA: 204.37 SMILES: show Cc1cc([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)NCCCN2CCN(c3ccc(C#Cc4ccc(N5C(=S)N(c6ccc(C#N)c(C(F)(F)F)c6)C(=O)C5(C)C)cc4)cn3)CC2)c2ccc(-c3scnc3C)cc2)C(C)C)on1 Linker type: Other Incubation time (hours): 6 Cells: LNCaP Dmax: = 94 % Off-targets reported?: No Contributed by: Daniel Zaidman |
Calculated Values
MW: 822.40 Hbond donors: 3 Hbond acceptors: 8 cLogP: 7.32 TPSA: 174.77 SMILES: show CC1(C)[C@H](NC(=O)c2ccc(C(=O)NCCCCCCCCCCc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cc2)C(C)(C)[C@H]1Oc1ccc(C#N)c(Cl)c1 Linker type: Alkane Incubation time (hours): 6 Cells: LNCaP Dmax: = 20 % Off-targets reported?: No Contributed by: Daniel Zaidman
Calculated Values
MW: 829.40 Hbond donors: 2 Hbond acceptors: 9 cLogP: 5.96 TPSA: 152.15 SMILES: show CC1(C)[C@H](NC(=O)c2ccc(C#CC3CCN(C4CCN(c5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)cc2)C(C)(C)[C@H]1Oc1ccc(C#N)c(Cl)c1 Linker type: Other Incubation time (hours): 6 Cells: LNCaP Dmax: = 25 % Off-targets reported?: No Contributed by: Daniel Zaidman |