Submission Details

RAL-MED-2de63afb
Molecule(s):
O=C(Cc1cccnc1)Nc1cccc(OC2CC(=O)N2)c1

RAL-MED-2de63afb-1

O=C(Cc1cccnc1)Nc1cccc(OC2CC(=O)N2)c1

3-aminopyridine-like Assayed Check Availability on Manifold View
Cc1cc(NC(=O)Cc2cncnc2)cc(OC2CC(=O)N2)c1

RAL-MED-2de63afb-2

Cc1cc(NC(=O)Cc2cncnc2)cc(OC2CC(=O)N2)c1

3-aminopyridine-like Assayed Check Availability on Manifold View
O=C1CC(c2cccc(NC(=O)Cc3cncnc3)c2)CN1

RAL-MED-2de63afb-3

O=C1CC(c2cccc(NC(=O)Cc3cncnc3)c2)CN1

3-aminopyridine-like Made Check Availability on Manifold View
O=C1CC(Oc2cccc(NC(=O)C(=O)c3cncnc3)c2)N1

RAL-MED-2de63afb-4

O=C1CC(Oc2cccc(NC(=O)C(=O)c3cncnc3)c2)N1

3-aminopyridine-like Ordered Check Availability on Manifold View
O=C1CC(Oc2cccc(C(=O)NCc3cncnc3)c2)N1

RAL-MED-2de63afb-5

O=C1CC(Oc2cccc(C(=O)NCc3cncnc3)c2)N1

O=C(Cc1ccccc1)Nc1cccc(OC2CC(=O)N2)c1

RAL-MED-2de63afb-6

O=C(Cc1ccccc1)Nc1cccc(OC2CC(=O)N2)c1

3-aminopyridine-like Made Check Availability on Manifold View
O=C(Cc1cncnc1)Nc1cccc(CC2CC(=O)N2)c1

RAL-MED-2de63afb-7

O=C(Cc1cncnc1)Nc1cccc(CC2CC(=O)N2)c1

3-aminopyridine-like Ordered Check Availability on Manifold View
O=C(Cc1cncnc1)Nc1cccc(CC2CCC(=O)N2)c1

RAL-MED-2de63afb-8

O=C(Cc1cncnc1)Nc1cccc(CC2CCC(=O)N2)c1

3-aminopyridine-like Ordered Check Availability on Manifold View
C=CC(=O)Nc1cccc(OC2CC(=O)N2)c1

RAL-MED-2de63afb-9

C=CC(=O)Nc1cccc(OC2CC(=O)N2)c1

C/C=C/C(=O)Nc1cccc(OC2CC(=O)N2)c1

RAL-MED-2de63afb-10

C/C=C/C(=O)Nc1cccc(OC2CC(=O)N2)c1

CCC(=O)Nc1cccc(OC2CC(=O)N2)c1

RAL-MED-2de63afb-11

CCC(=O)Nc1cccc(OC2CC(=O)N2)c1

CC(=O)NCc1cccc(NC(=O)Cc2cncnc2)c1

RAL-MED-2de63afb-12

CC(=O)NCc1cccc(NC(=O)Cc2cncnc2)c1

3-aminopyridine-like Made Check Availability on Manifold View
O=C(Cc1cncnc1)Nc1cccc(CC2CNC(=O)N2)c1

RAL-MED-2de63afb-13

O=C(Cc1cncnc1)Nc1cccc(CC2CNC(=O)N2)c1

3-aminopyridine-like Ordered Check Availability on Manifold View
O=C(Cc1cncnc1)Nc1cc(F)cc(OC2CC(=O)N2)c1

RAL-MED-2de63afb-14

O=C(Cc1cncnc1)Nc1cc(F)cc(OC2CC(=O)N2)c1

3-aminopyridine-like Assayed Check Availability on Manifold View
C[C@@H](C(=O)Nc1cccc(OC2CC(=O)N2)c1)c1cncnc1

RAL-MED-2de63afb-15

C[C@@H](C(=O)Nc1cccc(OC2CC(=O)N2)c1)c1cncnc1

3-aminopyridine-like Ordered Check Availability on Manifold View
C[C@H](C(=O)Nc1cccc(OC2CC(=O)N2)c1)c1cncnc1

RAL-MED-2de63afb-16

C[C@H](C(=O)Nc1cccc(OC2CC(=O)N2)c1)c1cncnc1

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

Close in (single point change) analogs of hit BAR-COM-4E0-39 beta lactam designed by inspection (i.e., eye) of the x-ray structure of the compound bound to the SARS-CoV-2 main protease. Includes potential mimics of the beta lactam and attempts to reach Cys145 for co-valent interaction.

Inspired By:
Discussion:

Contributor: Ralph Robinson, Med-Chem team, COVID Moonshot - Fri, 15 May 2020 03:16:48 +0000