Submission Details

BEN-DND-d1eb1f41
Molecule(s):
O=C(Nc1cncc2c1CC(O)CC2)[C@@H]1CCNc2ccc(Cl)cc21

BEN-DND-d1eb1f41-1

O=C(Nc1cncc2c1CC(O)CC2)[C@@H]1CCNc2ccc(Cl)cc21

3-aminopyridine-like Check Availability on Manifold View
CC1(O)CCc2cncc(NC(=O)[C@@H]3CCNc4ccc(Cl)cc43)c2C1

BEN-DND-d1eb1f41-2

CC1(O)CCc2cncc(NC(=O)[C@@H]3CCNc4ccc(Cl)cc43)c2C1

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cncc2ccc(C(O)CO)cc12)[C@@H]1CCNc2ccc(Cl)cc21

BEN-DND-d1eb1f41-3

O=C(Nc1cncc2ccc(C(O)CO)cc12)[C@@H]1CCNc2ccc(Cl)cc21

3-aminopyridine-like Check Availability on Manifold View
CNCc1ccc(Cl)cc1CC(=O)Nc1cncc2ccccc12

BEN-DND-d1eb1f41-4

CNCc1ccc(Cl)cc1CC(=O)Nc1cncc2ccccc12

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cncc2c1COCC2)[C@@H]1CCNc2ccc(Cl)cc21

BEN-DND-d1eb1f41-5

O=C(Nc1cncc2c1COCC2)[C@@H]1CCNc2ccc(Cl)cc21

3-aminopyridine-like Check Availability on Manifold View
CN(C)Cc1ccc(Cl)cc1CC(=O)Nc1cncc2ccccc12

BEN-DND-d1eb1f41-6

CN(C)Cc1ccc(Cl)cc1CC(=O)Nc1cncc2ccccc12

3-aminopyridine-like Check Availability on Manifold View
CN1CCN(c2cncc3ccccc23)C(=O)[C@H]1c1cccc(Cl)c1

BEN-DND-d1eb1f41-7

CN1CCN(c2cncc3ccccc23)C(=O)[C@H]1c1cccc(Cl)c1

3-aminopyridine-like Ordered Check Availability on Manifold View
O=C1[C@H]2c3cc(Cl)ccc3CN2CCN1c1cncc2ccccc12

BEN-DND-d1eb1f41-8

O=C1[C@H]2c3cc(Cl)ccc3CN2CCN1c1cncc2ccccc12

3-aminopyridine-like Check Availability on Manifold View
O=C1[C@H]2c3cc(Cl)ccc3CCN2CCN1c1cncc2ccccc12

BEN-DND-d1eb1f41-9

O=C1[C@H]2c3cc(Cl)ccc3CCN2CCN1c1cncc2ccccc12

3-aminopyridine-like Check Availability on Manifold View
CC(C)(O)c1ccc2cncc(NC(=O)[C@@H]3CCNc4ccc(Cl)cc43)c2c1

BEN-DND-d1eb1f41-10

CC(C)(O)c1ccc2cncc(NC(=O)[C@@H]3CCNc4ccc(Cl)cc43)c2c1

3-aminopyridine-like Ordered Check Availability on Manifold View
O/N=C(/Nc1cncc2ccccc12)[C@@H]1CCOc2cc(F)c(Cl)cc21

BEN-DND-d1eb1f41-11

O/N=C(/Nc1cncc2ccccc12)[C@@H]1CCOc2cc(F)c(Cl)cc21

Cc1cccc2cncc(N(C)C(=O)[C@@H]3CCOc4cc(F)c(Cl)cc43)c12

BEN-DND-d1eb1f41-12

Cc1cccc2cncc(N(C)C(=O)[C@@H]3CCOc4cc(F)c(Cl)cc43)c12

3-aminopyridine-like Check Availability on Manifold View
CO/N=C(/Nc1cncc2ccccc12)[C@@H]1CCOc2cc(F)c(Cl)cc21

BEN-DND-d1eb1f41-13

CO/N=C(/Nc1cncc2ccccc12)[C@@H]1CCOc2cc(F)c(Cl)cc21

CS(=O)(=O)c1ccc2cncc(NC(Cc3ccc(Cl)c(Cl)c3)C(F)(F)F)c2c1

BEN-DND-d1eb1f41-14

CS(=O)(=O)c1ccc2cncc(NC(Cc3ccc(Cl)c(Cl)c3)C(F)(F)F)c2c1

O=C1C(c2ccc(F)c(Cl)c2)CCN1c1cncc2ccccc12

BEN-DND-d1eb1f41-15

O=C1C(c2ccc(F)c(Cl)c2)CCN1c1cncc2ccccc12

3-aminopyridine-like Check Availability on Manifold View
FC(F)(F)C(Cc1ccc(Cl)c(Cl)c1)Nc1cncc2ccccc12

BEN-DND-d1eb1f41-16

FC(F)(F)C(Cc1ccc(Cl)c(Cl)c1)Nc1cncc2ccccc12

CC(C)N(C(=O)[C@@H]1CCOc2cc(F)c(Cl)cc21)c1cncc2ccccc12

BEN-DND-d1eb1f41-17

CC(C)N(C(=O)[C@@H]1CCOc2cc(F)c(Cl)cc21)c1cncc2ccccc12

3-aminopyridine-like Check Availability on Manifold View
Fc1cc2c(cc1Cl)[C@H](C(=S)Nc1cncc3ccccc13)CCO2

BEN-DND-d1eb1f41-18

Fc1cc2c(cc1Cl)[C@H](C(=S)Nc1cncc3ccccc13)CCO2

Design Rationale:

Tackling hypothesis that amide cleavage is primary driver of metabolic instability. Alos looking at alternative polar groups to replace the methylsulfone on the isoquinoline

Discussion:

Contributor: Benjamin Perry, DNDi - Thu, 08 Apr 2021 16:46:54 +0000