Submission Details

JAG-UCB-52b62a6f
Molecule(s):
O=C(Nc1c(Cl)ncn2c(O)nnc12)C1CCOc2ccc(Cl)cc21

JAG-UCB-52b62a6f-1

O=C(Nc1c(Cl)ncn2c(O)nnc12)C1CCOc2ccc(Cl)cc21

3-aminopyridine-like Ordered Check Availability on Manifold View
O=C(Nc1c(Cl)ncn2cnnc12)C1CCOc2ccc(Cl)cc21

JAG-UCB-52b62a6f-2

O=C(Nc1c(Cl)ncn2cnnc12)C1CCOc2ccc(Cl)cc21

3-aminopyridine-like Ordered Check Availability on Manifold View
O=C(Nc1c(Cl)ncn2nnnc12)C1CCOc2ccc(Cl)cc21

JAG-UCB-52b62a6f-3

O=C(Nc1c(Cl)ncn2nnnc12)C1CCOc2ccc(Cl)cc21

3-aminopyridine-like Ordered Check Availability on Manifold View
O=C(Nc1[nH]nc2ccc(F)cc12)C1CCOc2ccc(Cl)cc21

JAG-UCB-52b62a6f-4

O=C(Nc1[nH]nc2ccc(F)cc12)C1CCOc2ccc(Cl)cc21

3-aminopyridine-like Made Check Availability on Manifold View
O=C(Nc1[nH]nc2cccc(F)c12)C1CCOc2ccc(Cl)cc21

JAG-UCB-52b62a6f-5

O=C(Nc1[nH]nc2cccc(F)c12)C1CCOc2ccc(Cl)cc21

3-aminopyridine-like Assayed Check Availability on Manifold View
O=C(Nc1[nH]nc2ccccc12)C1CCOc2ccc(Cl)cc21

JAG-UCB-52b62a6f-6

O=C(Nc1[nH]nc2ccccc12)C1CCOc2ccc(Cl)cc21

3-aminopyridine-like Assayed Check Availability on Manifold View
O=C(Nc1[nH]nc2cccnc12)C1CCOc2ccc(Cl)cc21

JAG-UCB-52b62a6f-7

O=C(Nc1[nH]nc2cccnc12)C1CCOc2ccc(Cl)cc21

3-aminopyridine-like Assayed Check Availability on Manifold View
COc1ccc2n[nH]c(NC(=O)C3CCOc4ccc(Cl)cc43)c2c1

JAG-UCB-52b62a6f-8

COc1ccc2n[nH]c(NC(=O)C3CCOc4ccc(Cl)cc43)c2c1

3-aminopyridine-like Assayed Check Availability on Manifold View
O=C(Nc1[nH]nc2cc(F)ccc12)C1CCOc2ccc(Cl)cc21

JAG-UCB-52b62a6f-9

O=C(Nc1[nH]nc2cc(F)ccc12)C1CCOc2ccc(Cl)cc21

3-aminopyridine-like Assayed Check Availability on Manifold View
COc1ccc2c(NC(=O)C3CCOc4ccc(Cl)cc43)noc2c1

JAG-UCB-52b62a6f-10

COc1ccc2c(NC(=O)C3CCOc4ccc(Cl)cc43)noc2c1

3-aminopyridine-like Assayed Check Availability on Manifold View
Cc1ccn2cnnc2c1NC(=O)C1CCOc2ccc(Cl)cc21

JAG-UCB-52b62a6f-11

Cc1ccn2cnnc2c1NC(=O)C1CCOc2ccc(Cl)cc21

3-aminopyridine-like Assayed Check Availability on Manifold View
COc1ccc2c(NC(=O)C3CCOc4ccc(Cl)cc43)[nH]nc2c1

JAG-UCB-52b62a6f-12

COc1ccc2c(NC(=O)C3CCOc4ccc(Cl)cc43)[nH]nc2c1

3-aminopyridine-like Assayed Check Availability on Manifold View
O=C(Nc1cccc2cn[nH]c12)C1CCOc2ccc(Cl)cc21

JAG-UCB-52b62a6f-13

O=C(Nc1cccc2cn[nH]c12)C1CCOc2ccc(Cl)cc21

3-aminopyridine-like Assayed Check Availability on Manifold View
Cc1nn(C)c2[nH]nc(NC(=O)C3CCOc4ccc(Cl)cc43)c12

JAG-UCB-52b62a6f-14

Cc1nn(C)c2[nH]nc(NC(=O)C3CCOc4ccc(Cl)cc43)c12

3-aminopyridine-like Ordered Check Availability on Manifold View
O=C(Nc1n[nH]c2ccnc(Br)c12)C1CCOc2ccc(Cl)cc21

JAG-UCB-52b62a6f-15

O=C(Nc1n[nH]c2ccnc(Br)c12)C1CCOc2ccc(Cl)cc21

3-aminopyridine-like Assayed Check Availability on Manifold View
O=C(Nc1n[nH]c2ccncc12)C1CCOc2ccc(Cl)cc21

JAG-UCB-52b62a6f-16

O=C(Nc1n[nH]c2ccncc12)C1CCOc2ccc(Cl)cc21

3-aminopyridine-like Assayed Check Availability on Manifold View
O=C(Nc1n[nH]c2ccccc12)C1CCOc2ccc(Cl)cc21

JAG-UCB-52b62a6f-17
Duplicate of:
JAG-UCB-52b62a6f-6

O=C(Nc1n[nH]c2ccccc12)C1CCOc2ccc(Cl)cc21

Duplicate 3-aminopyridine-like Assayed Check Availability on Manifold View
O=C(Nc1n[nH]c2ccc(F)cc12)C1CCOc2ccc(Cl)cc21

JAG-UCB-52b62a6f-18
Duplicate of:
JAG-UCB-52b62a6f-4

O=C(Nc1n[nH]c2ccc(F)cc12)C1CCOc2ccc(Cl)cc21

Duplicate 3-aminopyridine-like Made Check Availability on Manifold View
Cc1cc(C(F)(F)F)nc2n[nH]c(NC(=O)C3CCOc4ccc(Cl)cc43)c12

JAG-UCB-52b62a6f-19

Cc1cc(C(F)(F)F)nc2n[nH]c(NC(=O)C3CCOc4ccc(Cl)cc43)c12

3-aminopyridine-like Assayed Check Availability on Manifold View
Design Rationale:

1 step alternatives to isoquinoline. Starting with set of bicyclic anilines available at Enamine. All were enumerated, docked, then eyeballed. There are 17 amines which could be coupled with the benzopyran acid: EN300-255824 EN300-157847 EN300-171971 EN300-68582 EN300-54133 EN300-02352 EN300-2008069 EN300-119787 EN300-100294 EN300-190454 EN300-219377 EN300-185691 EN300-28544 EN300-76965 EN300-1709231 EN300-116159 EN300-228971

Other Notes:

Submitted by Matt Robinson on Jag's behalf

Inspired By:
Discussion:

Contributor: Jag Heer, UCB - Sat, 26 Sep 2020 02:55:44 +0000