Compound_ID,SMILES,PDE11A4 IC50 (nM)
1,[H][C@]1(C2)N(C(CN(C)C1=O)=O)[C@H](C3=CC(OCO4)=C4C=C3)C5=C2C6=CC=CC=C6N5,25
2,O=C1C=C(NC2=CC=CC=C2)N(C3=CC=CC=C3)C4=NC(N5CCOCC5)=CC(C(F)(F)F)=C41,0.7
3,CC1=CC(C2=CC=CC=C2)=NC3=CC(C(NC4=CC=C(OCO5)C5=C4)=O)=NN31,N/D
4,O=C(N(CC)CC)C1=C2C(N(C3=CC=CC=C3C)N=C2C)=NC(C4=CC=CS4)=C1,180
5,CC(C=CC=C1)=C1NC2=C3C(N(C4=CC=C(F)C=C4)C=C3C5=CC=CC=C5)=NC=N2,110
6,O=C(N1C2=CC=CC=C2)N3C4=CC=CC=C4SC3=NC1=O,330
7,O=C1C2=C(CCS2)N=C(SCCC)N1C3=CC=CC=C3,280
9a,CC1=NN(C2=CC=CC=C2)C3=NC(C4=CC=CS4)=CC(C(N(CC)CC)=O)=C31,580
9b,CC1=NN(C2=CC=CC=C2)C3=NC(C4=CC=CS4)=CC(C(N5CCCC5)=O)=C31,N/D
9c,CC1=NN(C2=CC=CC=C2)C3=NC(C4=CC=CS4)=CC(C(N5CCC5)=O)=C31,N/D
9d,CC1=NN(C2=CC=CC=C2)C3=NC(C4=CC=CS4)=CC(C(N5CCOCC5)=O)=C31,N/D
9e,CC1=NN(C2=CC=CC=C2)C3=NC(C4=CC=CS4)=CC(C(N5CCN(C)CC5)=O)=C31,N/D
11,CC1=NN(C2=CC=CC=C2)C3=NC=CC(C(N(CC)CC)=O)=C31,N/D
12,CC1=NN(C2=CC=CC=C2)C3=NC(C#N)=CC(C(N(CC)CC)=O)=C31,N/D
13,CC1=NN(C2=CC=CC=C2)C3=NC(N4CCCC4)=CC(C(N(CC)CC)=O)=C31,N/D
14a,CC1=NN(C2=CC=CC=C2)C3=NC(C4=NC=CS4)=CC(C(N(CC)CC)=O)=C31,890
14b,CC1=NN(C2=CC=CC=C2)C3=NC(C4=CC=NN4C)=CC(C(N(CC)CC)=O)=C31,53
14c,CC1=NN(C2=CC=CC=C2)C3=NC(C4=CC=NN4CC)=CC(C(N(CC)CC)=O)=C31,61
14d,CC1=NN(C2=CC=CC=C2)C3=NC(C4=CC=NN4C(C)C)=CC(C(N(CC)CC)=O)=C31,N/D
14e,CC1=NN(C2=CC=CC=C2)C3=NC(C4=NN(C)C=C4)=CC(C(N(CC)CC)=O)=C31,N/D
14f,CC1=NN(C2=CC=CC=C2)C3=NC(C4=CN(C)N=C4)=CC(C(N(CC)CC)=O)=C31,N/D
14g,CC1=NN(C2=CC=CC=C2)C3=NC(C4=CC=NN4)=CC(C(N(CC)CC)=O)=C31,N/D
14h,CC1=NN(C2=CC=CC=C2)C3=NC(C4=CC=NN4C)=CC(C(N5CCCCC5)=O)=C31,4800
14i,CC1=NN(C2=CC=CC=C2)C3=NC(C4=CC=NN4C)=CC(C(NC(C)(C)C)=O)=C31,N/D
14j,CC1=NN(C2=CC=CC=C2)C3=NC(C4=CC=NN4C)=CC(C(N(CCC)C)=O)=C31,630
14k,CC1=NN(C2=CC=CC=C2)C3=NC(C4=CC=NN4C)=CC(C(N(CC)C)=O)=C31,500
15,CC1=NN(C2=CC=CC=C2)C3=NC(C4=NN=C(C)O4)=CC(C(N(CC)CC)=O)=C31,N/D
18a,CC1=NN(C2=CC=CC=C2F)C3=NC(C4=CC=NN4CC)=CC(C(N(CC)CC)=O)=C31,62
18b,CC1=NN(C2=CC=CC(F)=C2)C3=NC(C4=CC=NN4C)=CC(C(N(CC)CC)=O)=C31,N/D
18c,CC1=NN(C2=CC=C(F)C=C2)C3=NC(C4=CC=NN4C)=CC(C(N(CC)CC)=O)=C31,91
18d,CC1=NN(C2=CC=CC=C2Cl)C3=NC(C4=CC=NN4C)=CC(C(N(CC)CC)=O)=C31,51
18e,CC1=NN(C2=CC=C(Cl)C=C2)C3=NC(C4=CC=NN4C)=CC(C(N(CC)CC)=O)=C31,N/D
20a,O=C(N(CC)CC)C1=C2C(N(C3=CC=CC=C3)N=C2)=NC(C4=CC=NN4CC)=C1,270
20b,O=C(N(CC)CC)C1=C2C(N(C3=CC=C(F)C=C3)N=C2)=NC(C4=CC=NN4CC)=C1,N/D
23a,O=C(N(CC)CC)C1=C2C(N(C3=CC=CC=C3)N=C2C(F)(F)F)=NC(C4=CC=NN4C)=C1,81
23b,O=C(N(CC)CC)C1=C2C(N(C3=CC=CC=C3)N=C2C(F)F)=NC(C4=CC=NN4C)=C1,12
25,O=C(N(C([2H])(C([2H])([2H])[2H])[2H])C(C([2H])([2H])[2H])([2H])[2H])C1=C2C(N(C3=CC=CC=C3)N=C2C(F)F)=NC(C4=CC=NN4C)=C1,16