Submission Details

EDJ-MED-e4b030d8
Molecule(s):
C[C@@]1(C(=O)Nc2cncc3ccccc23)C(=O)COc2ccc(Cl)cc21

EDJ-MED-e4b030d8-1

C[C@@]1(C(=O)Nc2cncc3ccccc23)C(=O)COc2ccc(Cl)cc21

3-aminopyridine-like Check Availability on Manifold View
C[C@@H]1C[C@@H](C(=O)Nc2cncc3ccccc23)c2cc(Cl)ccc2O1

EDJ-MED-e4b030d8-2

C[C@@H]1C[C@@H](C(=O)Nc2cncc3ccccc23)c2cc(Cl)ccc2O1

3-aminopyridine-like Assayed Check Availability on Manifold View
C[C@H]1C[C@@H](C(=O)Nc2cncc3ccccc23)c2cc(Cl)ccc2O1

EDJ-MED-e4b030d8-3

C[C@H]1C[C@@H](C(=O)Nc2cncc3ccccc23)c2cc(Cl)ccc2O1

3-aminopyridine-like Assayed Check Availability on Manifold View
O=C(Nc1cncc2ccccc12)[C@@H]1CCOc2c(OC3COC3)cc(Cl)cc21

EDJ-MED-e4b030d8-4

O=C(Nc1cncc2ccccc12)[C@@H]1CCOc2c(OC3COC3)cc(Cl)cc21

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cncc2ccccc12)[C@@H]1CCOc2c(C3COC3)cc(Cl)cc21

EDJ-MED-e4b030d8-5

O=C(Nc1cncc2ccccc12)[C@@H]1CCOc2c(C3COC3)cc(Cl)cc21

3-aminopyridine-like Check Availability on Manifold View
CCC[C@H]1COc2ccc(Cl)cc2[C@@H]1C(=O)Nc1cncc2ccccc12

EDJ-MED-e4b030d8-6

CCC[C@H]1COc2ccc(Cl)cc2[C@@H]1C(=O)Nc1cncc2ccccc12

3-aminopyridine-like Check Availability on Manifold View
COc1cc(Cl)cc2c1OCC[C@H]2C(=O)Nc1cncc2ccccc12

EDJ-MED-e4b030d8-7

COc1cc(Cl)cc2c1OCC[C@H]2C(=O)Nc1cncc2ccccc12

3-aminopyridine-like Assayed Check Availability on Manifold View
Cc1c(Cl)ccc2c1[C@H](C(=O)Nc1cncc3ccccc13)CCO2

EDJ-MED-e4b030d8-8

Cc1c(Cl)ccc2c1[C@H](C(=O)Nc1cncc3ccccc13)CCO2

3-aminopyridine-like Assayed Check Availability on Manifold View
O=C(Nc1cncc2ccccc12)[C@@H]1CCOc2ccc(Cl)nc21

EDJ-MED-e4b030d8-9

O=C(Nc1cncc2ccccc12)[C@@H]1CCOc2ccc(Cl)nc21

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cncc2ccccc12)[C@@H]1CCOc2ccc(Cl)c(Cl)c21

EDJ-MED-e4b030d8-10

O=C(Nc1cncc2ccccc12)[C@@H]1CCOc2ccc(Cl)c(Cl)c21

3-aminopyridine-like Check Availability on Manifold View
C[C@H]1COc2ccc(Cl)cc2[C@@H]1C(=O)Nc1cncc2ccccc12

EDJ-MED-e4b030d8-11

C[C@H]1COc2ccc(Cl)cc2[C@@H]1C(=O)Nc1cncc2ccccc12

3-aminopyridine-like Assayed Check Availability on Manifold View
O=C(Nc1cncc2ccccc12)[C@@H]1COc2ccc(Cl)cc2C1

EDJ-MED-e4b030d8-12

O=C(Nc1cncc2ccccc12)[C@@H]1COc2ccc(Cl)cc2C1

C[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21

EDJ-MED-e4b030d8-13

C[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21

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

Follow ups to VLA-UCB-1dbca3b4-15 using MPro-x10942 as structural guidance. Stereochemistry is preferred. Key goal is to bias amide into axial position conformation and add small substituents to increase potency. Many of these designs are built from those developed for JAG-UCB-a3ef7265-20. So additional inspirations include: VLA-UCB-1dbca3b4-14 MIK-NEW-7f99bfc4-1 BAR-COM-ace1b61b-3 BAR-COM-ace1b61b-2 BAR-COM-ace1b61b-1 JAN-GHE-299e5c7e-4 MAT-POS-e478a234-1 RAL-THA-f8a0f917-3 RAL-THA-f8a0f917-2 RAL-THA-f8a0f917-1 EDG-MED-4b32601a-1 EDG-MED-fe7487f8-2 NAU-LAT-8502cac5-3

Inspired By:
Discussion:

Contributor: Ed J Griffen, MedChemica Ltd - Fri, 11 Sep 2020 11:34:58 +0000