Submission Details

Molecule(s):
CCNc1ncc(C#N)cc1CN1CCN(C(C)=O)CC1

JAN-GHE-fd8d85a5-1

CCNc1ncc(C#N)cc1CN1CCN(C(C)=O)CC1

CC#Cc1cnc(Nc2ccccc2)c(CN2CCN(C(C)=O)CC2)c1

JAN-GHE-fd8d85a5-2

CC#Cc1cnc(Nc2ccccc2)c(CN2CCN(C(C)=O)CC2)c1

CC(=O)N1CCN(Cc2cc(Cl)cnc2NCCO)CC1

JAN-GHE-fd8d85a5-3

CC(=O)N1CCN(Cc2cc(Cl)cnc2NCCO)CC1

CCNc1ncc(C#N)cc1CN1CC2(C1)CN(C(C)=O)C2

JAN-GHE-fd8d85a5-4

CCNc1ncc(C#N)cc1CN1CC2(C1)CN(C(C)=O)C2

CCNc1ncc(C#N)cc1CN1C[C@H]2CN(C(C)=O)C[C@H]2C1

JAN-GHE-fd8d85a5-5

CCNc1ncc(C#N)cc1CN1C[C@H]2CN(C(C)=O)C[C@H]2C1

CCNc1ncc(C#N)cc1CN1CCCN(C(C)=O)CC1

JAN-GHE-fd8d85a5-6

CCNc1ncc(C#N)cc1CN1CCCN(C(C)=O)CC1

CCNc1ccc(C#N)cc1C(=O)N1CCN(C(C)=O)CC1

JAN-GHE-fd8d85a5-7

CCNc1ccc(C#N)cc1C(=O)N1CCN(C(C)=O)CC1

CC(=O)N1CCN(Cc2cc(C#N)ccc2NC2CC2)CC1

JAN-GHE-fd8d85a5-8

CC(=O)N1CCN(Cc2cc(C#N)ccc2NC2CC2)CC1

CC#Cc1ccc(NCC)c(CN2CCN(C(C)=O)CC2)c1

JAN-GHE-fd8d85a5-9

CC#Cc1ccc(NCC)c(CN2CCN(C(C)=O)CC2)c1

CCNc1ccc(F)cc1CN1CCN(C(C)=O)CC1

JAN-GHE-fd8d85a5-10

CCNc1ccc(F)cc1CN1CCN(C(C)=O)CC1

CC(=O)N1CCN(Cc2cc(C#N)ccc2CNC(=O)N2CCOCC2)CC1

JAN-GHE-fd8d85a5-12

CC(=O)N1CCN(Cc2cc(C#N)ccc2CNC(=O)N2CCOCC2)CC1


Design Rationale:

X0692_0 and x0305 merge perfectly. Acetylpiperazine and nitrile moieties seem to be important for binding of several fragments.

Inspired By:
Discussion: