Submission Details

NAU-LAT-3f5f3993
Molecule(s):
CC(=O)N1CCC(N(C(=O)Nc2cnccc2C)c2ccccc2)CC1

NAU-LAT-3f5f3993-1

CC(=O)N1CCC(N(C(=O)Nc2cnccc2C)c2ccccc2)CC1

3-aminopyridine-like Check Availability on Manifold View
CC(=O)N1CCC(NC(=O)Nc2cnccc2C)CC1

NAU-LAT-3f5f3993-2

CC(=O)N1CCC(NC(=O)Nc2cnccc2C)CC1

3-aminopyridine-like Check Availability on Manifold View
CC(=O)N1CCC(N(C(=O)Cc2cnccc2C)c2ccccc2)CC1

NAU-LAT-3f5f3993-3

CC(=O)N1CCC(N(C(=O)Cc2cnccc2C)c2ccccc2)CC1

3-aminopyridine-like Check Availability on Manifold View
CC(=O)N1CCN(CC(=O)Cn2nnc3ccccc32)CC1

NAU-LAT-3f5f3993-4

CC(=O)N1CCN(CC(=O)Cn2nnc3ccccc32)CC1

Cc1ccncc1NC(=O)CN1CCN(S(C)(=O)=O)CC1

NAU-LAT-3f5f3993-5
Duplicate of:
BEN-DND-6de5dfa0-3

Cc1ccncc1NC(=O)CN1CCN(S(C)(=O)=O)CC1

Duplicate 3-aminopyridine-like Check Availability on Manifold View
CC(=O)c1cc(Cl)cc(NC(=O)Cc2cnccc2C)c1

NAU-LAT-3f5f3993-6

CC(=O)c1cc(Cl)cc(NC(=O)Cc2cnccc2C)c1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1CC(=O)Nc1cc(Cl)cc(C(N)=O)c1

NAU-LAT-3f5f3993-7

Cc1ccncc1CC(=O)Nc1cc(Cl)cc(C(N)=O)c1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1CC(=O)Nc1cc(Cl)cc(C(=O)O)c1

NAU-LAT-3f5f3993-8

Cc1ccncc1CC(=O)Nc1cc(Cl)cc(C(=O)O)c1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1CC(=O)Nc1cc(Cl)cc2c1CNCC2=O

NAU-LAT-3f5f3993-9

Cc1ccncc1CC(=O)Nc1cc(Cl)cc2c1CNCC2=O

3-aminopyridine-like Check Availability on Manifold View
CC(=O)N1CCN(C(CCNS(C)(=O)=O)C(=O)Nc2cnccc2C)CC1

NAU-LAT-3f5f3993-10

CC(=O)N1CCN(C(CCNS(C)(=O)=O)C(=O)Nc2cnccc2C)CC1

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

Early hit BEN-DND-93268d01-8 is promising for development due to relatively high LE and LLE (if used calculated logP). Short SAR proposed for this hit, based on merging with other hits (Fragalysis) or bioisosteric replacements.

Inspired By:
Discussion:

Contributor: Nauris Narvaiss, Latvian Institute of Organic Synthesis - Sun, 25 Oct 2020 00:40:03 +0000