Submission Details

MAK-UNK-ffc90da7
Molecule(s):
CC(CNCCCO)C(C(=O)Nc1cncc2ccccc12)c1cccc(Cl)c1

MAK-UNK-ffc90da7-1

CC(CNCCCO)C(C(=O)Nc1cncc2ccccc12)c1cccc(Cl)c1

3-aminopyridine-like Check Availability on Manifold View
O=C(CC1CCCC(Cl)C1O)Nc1cncc2ccccc12

MAK-UNK-ffc90da7-2

O=C(CC1CCCC(Cl)C1O)Nc1cncc2ccccc12

3-aminopyridine-like Check Availability on Manifold View
CNC(COC(C)C)c1ccc2c(NC(=O)Cc3cccc(Cl)c3)cncc2c1

MAK-UNK-ffc90da7-3

CNC(COC(C)C)c1ccc2c(NC(=O)Cc3cccc(Cl)c3)cncc2c1

3-aminopyridine-like Check Availability on Manifold View
CC(CNCC1CCCO1)C(C(=O)Nc1cncc2ccccc12)c1cccc(Cl)c1

MAK-UNK-ffc90da7-4

CC(CNCC1CCCO1)C(C(=O)Nc1cncc2ccccc12)c1cccc(Cl)c1

3-aminopyridine-like Check Availability on Manifold View
CC(CO)(NC1CC1)c1ccc2c(NC(=O)Cc3cccc(Cl)c3)cncc2c1

MAK-UNK-ffc90da7-5

CC(CO)(NC1CC1)c1ccc2c(NC(=O)Cc3cccc(Cl)c3)cncc2c1

3-aminopyridine-like Check Availability on Manifold View
CC(CNCCCO)c1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1

MAK-UNK-ffc90da7-6

CC(CNCCCO)c1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1

3-aminopyridine-like Check Availability on Manifold View
CNC(COC(C)C)C(C(=O)Nc1cncc2ccccc12)c1cccc(Cl)c1

MAK-UNK-ffc90da7-7

CNC(COC(C)C)C(C(=O)Nc1cncc2ccccc12)c1cccc(Cl)c1

3-aminopyridine-like Check Availability on Manifold View
CC(C)OCCCc1ccc2c(NC(=O)Cc3cccc(Cl)c3)cncc2c1

MAK-UNK-ffc90da7-8

CC(C)OCCCc1ccc2c(NC(=O)Cc3cccc(Cl)c3)cncc2c1

3-aminopyridine-like Check Availability on Manifold View
CC(CSC1CCOC1C)c1ccc2c(NC(=O)Cc3cccc(Cl)c3)cncc2c1

MAK-UNK-ffc90da7-9

CC(CSC1CCOC1C)c1ccc2c(NC(=O)Cc3cccc(Cl)c3)cncc2c1

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

best 9 by estimated affinity; SeeSAR 9.2 Inspirator: growing and core replacement

Discussion:

Contributor: Maksym Voznyy - Sat, 24 Oct 2020 15:38:27 +0000