Submission Details

EDG-MED-0da5ad92
Molecule(s):
Cc1ccncc1N(C)C(=O)Cc1cccc(Cl)c1

EDG-MED-0da5ad92-1
Duplicate of:
JAN-GHE-83b26c96-15

Cc1ccncc1N(C)C(=O)Cc1cccc(Cl)c1

Duplicate 3-aminopyridine-like Made Check Availability on Manifold View
O=C(Cc1cccc(Cl)c1)Nc1cccnc1

EDG-MED-0da5ad92-2

O=C(Cc1cccc(Cl)c1)Nc1cccnc1

3-aminopyridine-like Assayed Check Availability on Manifold View
Cc1ccncc1NC(=O)N(C)c1cccc(Cl)c1

EDG-MED-0da5ad92-3

Cc1ccncc1NC(=O)N(C)c1cccc(Cl)c1

3-aminopyridine-like Assayed Check Availability on Manifold View
Cc1ccncc1NC(=O)CC1CCCCC1

EDG-MED-0da5ad92-4
Duplicate of:
ALE-HEI-f28a35b5-6

Cc1ccncc1NC(=O)CC1CCCCC1

Duplicate 3-aminopyridine-like Ordered Check Availability on Manifold View
Cc1ccncc1NC(=O)C(CO)c1cccc(Cl)c1

EDG-MED-0da5ad92-5

Cc1ccncc1NC(=O)C(CO)c1cccc(Cl)c1

3-aminopyridine-like Assayed Check Availability on Manifold View
Cc1ccncc1NC(=N)Cc1cccc(Cl)c1

EDG-MED-0da5ad92-6

Cc1ccncc1NC(=N)Cc1cccc(Cl)c1

CCCCOc1ccc(Cl)cc1CC(=O)Nc1cnccc1C

EDG-MED-0da5ad92-7

CCCCOc1ccc(Cl)cc1CC(=O)Nc1cnccc1C

3-aminopyridine-like Assayed Check Availability on Manifold View
Cc1ccncc1NC(=O)Cc1cncc(Cl)c1

EDG-MED-0da5ad92-8
Duplicate of:
TRY-UNI-2eddb1ff-2

Cc1ccncc1NC(=O)Cc1cncc(Cl)c1

Duplicate 3-aminopyridine-like Assayed Check Availability on Manifold View
Cc1ccncc1NC(=O)CC1CCCNC1

EDG-MED-0da5ad92-9

Cc1ccncc1NC(=O)CC1CCCNC1

3-aminopyridine-like Made Check Availability on Manifold View
Cc1ccncc1NC(=O)C(C)(C)c1cccc(Cl)c1

EDG-MED-0da5ad92-10
Duplicate of:
JAN-GHE-83b26c96-22

Cc1ccncc1NC(=O)C(C)(C)c1cccc(Cl)c1

Duplicate 3-aminopyridine-like Assayed Check Availability on Manifold View
Cc1ccncc1NC(=O)C1(c2cccc(Cl)c2)CC1

EDG-MED-0da5ad92-11
Duplicate of:
JAN-GHE-83b26c96-20

Cc1ccncc1NC(=O)C1(c2cccc(Cl)c2)CC1

Duplicate 3-aminopyridine-like Assayed Check Availability on Manifold View
Cc1cncc(NC(=O)Cc2cccc(Cl)c2)c1

EDG-MED-0da5ad92-12

Cc1cncc(NC(=O)Cc2cccc(Cl)c2)c1

3-aminopyridine-like Made Check Availability on Manifold View
Cc1ccc(NC(=O)Cc2cccc(Cl)c2)cn1

EDG-MED-0da5ad92-13

Cc1ccc(NC(=O)Cc2cccc(Cl)c2)cn1

3-aminopyridine-like Made Check Availability on Manifold View
Cc1ncccc1NC(=O)Cc1cccc(Cl)c1

EDG-MED-0da5ad92-14

Cc1ncccc1NC(=O)Cc1cccc(Cl)c1

3-aminopyridine-like Made Check Availability on Manifold View
Cc1ccnnc1NC(=O)Cc1cccc(Cl)c1

EDG-MED-0da5ad92-15

Cc1ccnnc1NC(=O)Cc1cccc(Cl)c1

3-aminopyridine-like Assayed Check Availability on Manifold View
Cc1cnncc1NC(=O)Cc1cccc(Cl)c1

EDG-MED-0da5ad92-16

Cc1cnncc1NC(=O)Cc1cccc(Cl)c1

3-aminopyridine-like Made Check Availability on Manifold View
Cc1cc(N)ncc1NC(=O)Cc1cccc(Cl)c1

EDG-MED-0da5ad92-17

Cc1cc(N)ncc1NC(=O)Cc1cccc(Cl)c1

3-aminopyridine-like Assayed Check Availability on Manifold View
Cc1ccnc(N)c1NC(=O)Cc1cccc(Cl)c1

EDG-MED-0da5ad92-18

Cc1ccnc(N)c1NC(=O)Cc1cccc(Cl)c1

3-aminopyridine-like Made Check Availability on Manifold View
Cc1ccncc1NC(=O)N(c1cccc(Cl)c1)c1cccc(Cl)c1

EDG-MED-0da5ad92-19

Cc1ccncc1NC(=O)N(c1cccc(Cl)c1)c1cccc(Cl)c1

3-aminopyridine-like Ordered Check Availability on Manifold View
Cc1ccncc1NC(=O)N(Cc1ccccc1)c1cccc(Cl)c1

EDG-MED-0da5ad92-20

Cc1ccncc1NC(=O)N(Cc1ccccc1)c1cccc(Cl)c1

3-aminopyridine-like Assayed Check Availability on Manifold View
Cc1[nH]ncc1NC(=O)Cc1cccc(Cl)c1

EDG-MED-0da5ad92-21

Cc1[nH]ncc1NC(=O)Cc1cccc(Cl)c1

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

Straightforward medicinal chemistry pairs based on compound TRY-UNI-714-6 and it's crystal structure. Selection of approaches: methyl scans, testing H-bond points , additional substituents where there looks to be space, conformational biasing with gem dimethyl and cyclopropyl as opposite biases.

Inspired By:
Download PDB File
Discussion:

Contributor: Ed Griffen, MedChemica - Tue, 12 May 2020 12:58:56 +0000