Submission Details

MAK-UNK-8be7dca9
Molecule(s):
O=C(Nc1cncc2cc(CN3CCNCC3)ccc12)C1CCOc2ccc(Cl)cc21

MAK-UNK-8be7dca9-1

O=C(Nc1cncc2cc(CN3CCNCC3)ccc12)C1CCOc2ccc(Cl)cc21

3-aminopyridine-like Assayed Check Availability on Manifold View
NC(=O)Cc1ccc2c(NC(=O)C3CCOc4ccc(Cl)cc43)cncc2c1

MAK-UNK-8be7dca9-2

NC(=O)Cc1ccc2c(NC(=O)C3CCOc4ccc(Cl)cc43)cncc2c1

3-aminopyridine-like Check Availability on Manifold View
NCC1COc2ccc(Cl)cc2C1C(=O)Nc1cncc2ccccc12

MAK-UNK-8be7dca9-3

NCC1COc2ccc(Cl)cc2C1C(=O)Nc1cncc2ccccc12

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cncc2ccc(N3CCNCC3)cc12)C1CCOc2ccc(Cl)cc21

MAK-UNK-8be7dca9-4

O=C(Nc1cncc2ccc(N3CCNCC3)cc12)C1CCOc2ccc(Cl)cc21

3-aminopyridine-like Check Availability on Manifold View
NCc1ccc2c(NC(=O)C3CCOc4ccc(Cl)cc43)cncc2c1

MAK-UNK-8be7dca9-5

NCc1ccc2c(NC(=O)C3CCOc4ccc(Cl)cc43)cncc2c1

3-aminopyridine-like Check Availability on Manifold View
NCc1cccc2c(NC(=O)C3CCOc4ccc(Cl)cc43)cncc12

MAK-UNK-8be7dca9-6
Duplicate of:
NAU-LAT-b7d8c353-8

NCc1cccc2c(NC(=O)C3CCOc4ccc(Cl)cc43)cncc12

Duplicate 3-aminopyridine-like Check Availability on Manifold View
O=C(O)c1ccc2cncc(NC(=O)C3CCOc4ccc(Cl)cc43)c2c1

MAK-UNK-8be7dca9-7

O=C(O)c1ccc2cncc(NC(=O)C3CCOc4ccc(Cl)cc43)c2c1

3-aminopyridine-like Check Availability on Manifold View
O=C(O)Cc1ccc2cncc(NC(=O)C3CCOc4ccc(Cl)cc43)c2c1

MAK-UNK-8be7dca9-8

O=C(O)Cc1ccc2cncc(NC(=O)C3CCOc4ccc(Cl)cc43)c2c1

3-aminopyridine-like Check Availability on Manifold View
O=C(O)c1ccc2c(NC(=O)C3CCOc4ccc(Cl)cc43)cncc2c1

MAK-UNK-8be7dca9-9

O=C(O)c1ccc2c(NC(=O)C3CCOc4ccc(Cl)cc43)cncc2c1

3-aminopyridine-like Check Availability on Manifold View
O=C(O)C1CC(C(=O)Nc2cncc3ccccc23)c2cc(Cl)ccc2O1

MAK-UNK-8be7dca9-10

O=C(O)C1CC(C(=O)Nc2cncc3ccccc23)c2cc(Cl)ccc2O1

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

SeeSAR 9.2 Inspirator Growing, 10 best by estimated affinity (first 5 are completely in nM range), LLE, LE, torsion, inter/intra clash, deviation = 0.00-0.01

Inspired By:
Discussion:

Contributor: Maksym Voznyy - Wed, 07 Oct 2020 03:01:53 +0000