Submission Details

BEN-DND-6de5dfa0
Molecule(s):
CCC(=O)N1CCN(CC(=O)Nc2cnccc2C)CC1

BEN-DND-6de5dfa0-1

CCC(=O)N1CCN(CC(=O)Nc2cnccc2C)CC1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1NC(=O)CN1CCN(C(=O)c2ccccc2)CC1

BEN-DND-6de5dfa0-2

Cc1ccncc1NC(=O)CN1CCN(C(=O)c2ccccc2)CC1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1NC(=O)CN1CCN(S(C)(=O)=O)CC1

BEN-DND-6de5dfa0-3

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

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1NC(=O)CN1CCNC(=O)C1

BEN-DND-6de5dfa0-4

Cc1ccncc1NC(=O)CN1CCNC(=O)C1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1NC(=O)CN1CCN(C)C(=O)C1

BEN-DND-6de5dfa0-5

Cc1ccncc1NC(=O)CN1CCN(C)C(=O)C1

3-aminopyridine-like Check Availability on Manifold View
CC(=O)N1CCCN(CC(=O)Nc2cnccc2C)CC1

BEN-DND-6de5dfa0-6

CC(=O)N1CCCN(CC(=O)Nc2cnccc2C)CC1

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

BEN-DND-6de5dfa0-7

CCOC(=O)N1CCN(CC(=O)Nc2cnccc2C)CC1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1NC(=O)CN1CCn2c(C)cnc2C1

BEN-DND-6de5dfa0-8

Cc1ccncc1NC(=O)CN1CCn2c(C)cnc2C1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1NC(=O)CN1CCn2c(cnc2C)C1

BEN-DND-6de5dfa0-9

Cc1ccncc1NC(=O)CN1CCn2c(cnc2C)C1

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

BEN-DND-6de5dfa0-10

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

3-aminopyridine-like Check Availability on Manifold View
CC(=O)N1CCN(CC(=O)Nc2cncc3ccccc23)CC1

BEN-DND-6de5dfa0-11
Duplicate of:
ALP-POS-6747fa38-1

CC(=O)N1CCN(CC(=O)Nc2cncc3ccccc23)CC1

Duplicate 3-aminopyridine-like Assayed Check Availability on Manifold View
CC(=O)N1CCN2[C@H](C(=O)Nc3cnccc3C)COC[C@H]2C1

BEN-DND-6de5dfa0-12

CC(=O)N1CCN2[C@H](C(=O)Nc3cnccc3C)COC[C@H]2C1

Cc1ccncc1NC(=O)CN1CCCc2ccccc21

BEN-DND-6de5dfa0-13
Duplicate of:
BEN-DND-93268d01-12

Cc1ccncc1NC(=O)CN1CCCc2ccccc21

Duplicate 3-aminopyridine-like Check Availability on Manifold View
CC(=O)NC1CCN(CC(=O)Nc2cnccc2C)CC1

BEN-DND-6de5dfa0-14

CC(=O)NC1CCN(CC(=O)Nc2cnccc2C)CC1

3-aminopyridine-like Check Availability on Manifold View
CC(=O)N(C)C1CCN(CC(=O)Nc2cnccc2C)CC1

BEN-DND-6de5dfa0-15

CC(=O)N(C)C1CCN(CC(=O)Nc2cnccc2C)CC1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1NC(=O)CN1CCN(C(=O)CCl)CC1

BEN-DND-6de5dfa0-16

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

3-aminopyridine-like Check Availability on Manifold View
CC(=O)N1CCN(CC(=O)N(C)c2cnccc2C)CC1

BEN-DND-6de5dfa0-17

CC(=O)N1CCN(CC(=O)N(C)c2cnccc2C)CC1

3-aminopyridine-like Check Availability on Manifold View
CC(=O)N1CCN(CC(=O)Nc2cncc(C)c2)CC1

BEN-DND-6de5dfa0-18

CC(=O)N1CCN(CC(=O)Nc2cncc(C)c2)CC1

3-aminopyridine-like Check Availability on Manifold View
CC(=O)N1CCN(CC(=O)Nc2cnccc2Cl)CC1

BEN-DND-6de5dfa0-19

CC(=O)N1CCN(CC(=O)Nc2cnccc2Cl)CC1

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

BEN-DND-6de5dfa0-20

CC(=O)N1CCN(CC(=O)Nc2cnccc2C(F)(F)F)CC1

3-aminopyridine-like Check Availability on Manifold View
COc1ccncc1NC(=O)CN1CCN(C(C)=O)CC1

BEN-DND-6de5dfa0-21

COc1ccncc1NC(=O)CN1CCN(C(C)=O)CC1

3-aminopyridine-like Check Availability on Manifold View
CC(=O)N1CCN(CC(=O)Nc2nnccc2C)CC1

BEN-DND-6de5dfa0-22

CC(=O)N1CCN(CC(=O)Nc2nnccc2C)CC1

3-aminopyridine-like Check Availability on Manifold View
CC(=O)N1CCN(CC(=O)Nc2cnncc2C)CC1

BEN-DND-6de5dfa0-23

CC(=O)N1CCN(CC(=O)Nc2cnncc2C)CC1

3-aminopyridine-like Check Availability on Manifold View
CC(=O)N1CCN(CC(=O)Nc2cncnc2C)CC1

BEN-DND-6de5dfa0-24

CC(=O)N1CCN(CC(=O)Nc2cncnc2C)CC1

3-aminopyridine-like Check Availability on Manifold View
CC(=O)N1CCN(C/C=C/c2cnccc2C)CC1

BEN-DND-6de5dfa0-25

CC(=O)N1CCN(C/C=C/c2cnccc2C)CC1

CC(=O)N1CCN(CNC(=O)c2cnccc2C)CC1

BEN-DND-6de5dfa0-26

CC(=O)N1CCN(CNC(=O)c2cnccc2C)CC1

C=C(C(=O)CN1CCN(C(C)=O)CC1)c1cnccc1C

BEN-DND-6de5dfa0-27

C=C(C(=O)CN1CCN(C(C)=O)CC1)c1cnccc1C

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

Designed around the results from BEN-DND-93268d01 - minor changes, scans etc etc. Also looking to stabilise the amide linker as per pwkenny suggestions, and also added in a potential CYS145 warhead based on the docking profile if this compound from Joe

Discussion:

Contributor: Benjamin Perry, DNDi - Fri, 25 Sep 2020 13:08:03 +0000