Submission Details

TRY-UNI-714a760b
Molecule(s):
Cc1c(N)cncc1NC(=O)CC1CCCCC1

TRY-UNI-714a760b-1

Cc1c(N)cncc1NC(=O)CC1CCCCC1

3-aminopyridine-like Ordered Check Availability on Manifold View
Cc1c(N)cncc1NC(=O)Cc1ccccc1

TRY-UNI-714a760b-2

Cc1c(N)cncc1NC(=O)Cc1ccccc1

3-aminopyridine-like Ordered Check Availability on Manifold View
Cc1c(N)cncc1NC(=O)Cc1cccc(Cl)c1

TRY-UNI-714a760b-3

Cc1c(N)cncc1NC(=O)Cc1cccc(Cl)c1

3-aminopyridine-like Assayed Check Availability on Manifold View
Cc1ccncc1NC(=O)Nc1ccccc1

TRY-UNI-714a760b-4
Duplicate of:
ALE-HEI-f28a35b5-1

Cc1ccncc1NC(=O)Nc1ccccc1

Duplicate 3-aminopyridine-like Made Check Availability on Manifold View
Cc1ccncc1NC(=O)Cc1ccccc1

TRY-UNI-714a760b-5

Cc1ccncc1NC(=O)Cc1ccccc1

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

TRY-UNI-714a760b-6

Cc1ccncc1NC(=O)Cc1cccc(Cl)c1

3-aminopyridine-like Assayed Check Availability on Manifold View
Cc1c(N)cncc1NC(=O)NC1CCCCC1

TRY-UNI-714a760b-7

Cc1c(N)cncc1NC(=O)NC1CCCCC1

3-aminopyridine-like Ordered Check Availability on Manifold View
Cc1c(N)cncc1NC(=O)Nc1ccccc1

TRY-UNI-714a760b-8

Cc1c(N)cncc1NC(=O)Nc1ccccc1

3-aminopyridine-like Ordered Check Availability on Manifold View
Cc1c(N)cncc1NC(=O)Nc1cccc(Cl)c1

TRY-UNI-714a760b-9

Cc1c(N)cncc1NC(=O)Nc1cccc(Cl)c1

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

TRY-UNI-714a760b-10
Duplicate of:
ALE-HEI-f28a35b5-6

Cc1ccncc1NC(=O)CC1CCCCC1

Duplicate 3-aminopyridine-like Ordered Check Availability on Manifold View
Cc1ccncc1NC(=O)NC1CCCCC1

TRY-UNI-714a760b-11
Duplicate of:
ALE-HEI-f28a35b5-7

Cc1ccncc1NC(=O)NC1CCCCC1

Duplicate 3-aminopyridine-like Ordered Check Availability on Manifold View
Cc1ccncc1NC(=O)Nc1cccc(Cl)c1

TRY-UNI-714a760b-12

Cc1ccncc1NC(=O)Nc1cccc(Cl)c1

3-aminopyridine-like Assayed Check Availability on Manifold View
Cc1c(N)cncc1NC(=O)C(C)C1CCCCC1

TRY-UNI-714a760b-13

Cc1c(N)cncc1NC(=O)C(C)C1CCCCC1

3-aminopyridine-like Ordered Check Availability on Manifold View
Cc1c(N)cncc1NC(=O)C(C)c1ccccc1

TRY-UNI-714a760b-14

Cc1c(N)cncc1NC(=O)C(C)c1ccccc1

3-aminopyridine-like Ordered Check Availability on Manifold View
Cc1c(N)cncc1NC(=O)C(C)c1cccc(Cl)c1

TRY-UNI-714a760b-15

Cc1c(N)cncc1NC(=O)C(C)c1cccc(Cl)c1

3-aminopyridine-like Ordered Check Availability on Manifold View
Cc1ccncc1NC(=O)C(C)C1CCCCC1

TRY-UNI-714a760b-16

Cc1ccncc1NC(=O)C(C)C1CCCCC1

3-aminopyridine-like Made Check Availability on Manifold View
Cc1ccncc1NC(=O)C(C)c1ccccc1

TRY-UNI-714a760b-17

Cc1ccncc1NC(=O)C(C)c1ccccc1

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

TRY-UNI-714a760b-18

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

3-aminopyridine-like Assayed Check Availability on Manifold View
Cc1c(N)cncc1NC(=O)Cc1cccc(C#N)c1

TRY-UNI-714a760b-19

Cc1c(N)cncc1NC(=O)Cc1cccc(C#N)c1

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

TRY-UNI-714a760b-20

Cc1ccncc1NC(=O)Cc1cccc(C#N)c1

3-aminopyridine-like Assayed Check Availability on Manifold View
Cc1c(N)cncc1NC(=O)C(C)c1cccc(C#N)c1

TRY-UNI-714a760b-21

Cc1c(N)cncc1NC(=O)C(C)c1cccc(C#N)c1

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

TRY-UNI-714a760b-22

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

3-aminopyridine-like Assayed Check Availability on Manifold View
Cc1c(N)cncc1NC(=O)Nc1cccc(C#N)c1

TRY-UNI-714a760b-23

Cc1c(N)cncc1NC(=O)Nc1cccc(C#N)c1

3-aminopyridine-like Ordered Check Availability on Manifold View
Cc1ccncc1NC(=O)Nc1cccc(C#N)c1

TRY-UNI-714a760b-24

Cc1ccncc1NC(=O)Nc1cccc(C#N)c1

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

The design of the molecules was done by superimposing the different fragments from the crystal structures (by eye). The reactions should be fairly easy urea formation or amide coupling all from readily available starting materials. Fragments used for the conception of the ideas are the following x0107, x0434, x0678, x0748, x0995, x1382

Inspired By:
Discussion:

Contributor: Tryfon Zarganis - Tzitzikas, University of Oxford, TDI MedChem - Tue, 17 Mar 2020 18:14:15 +0000