Submission Details

MIC-UNK-cdc2493e
Molecule(s):
O=C(Nc1cncc2ccccc12)N(CCC1CCCC1)c1cccc(Cl)c1

MIC-UNK-cdc2493e-1

O=C(Nc1cncc2ccccc12)N(CCC1CCCC1)c1cccc(Cl)c1

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cncc2ccccc12)N(CCC1CCCO1)c1cccc(Cl)c1

MIC-UNK-cdc2493e-2

O=C(Nc1cncc2ccccc12)N(CCC1CCCO1)c1cccc(Cl)c1

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cncc2ccccc12)N(CCc1ccccc1)c1cccc(Cl)c1

MIC-UNK-cdc2493e-3

O=C(Nc1cncc2ccccc12)N(CCc1ccccc1)c1cccc(Cl)c1

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cncc2ccccc12)N(c1cccc(Cl)c1)C1CC2CCCC2C1

MIC-UNK-cdc2493e-4

O=C(Nc1cncc2ccccc12)N(c1cccc(Cl)c1)C1CC2CCCC2C1

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cncc2ccccc12)N(c1cccc(Cl)c1)C1CC2CCCCC2C1

MIC-UNK-cdc2493e-5

O=C(Nc1cncc2ccccc12)N(c1cccc(Cl)c1)C1CC2CCCCC2C1

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cncc2ccccc12)N(c1cccc(Cl)c1)C1Cc2ccccc2C1

MIC-UNK-cdc2493e-6

O=C(Nc1cncc2ccccc12)N(c1cccc(Cl)c1)C1Cc2ccccc2C1

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cncc2ccccc12)N(c1cccc(Cl)c1)C1CCc2ccccc2C1

MIC-UNK-cdc2493e-7

O=C(Nc1cncc2ccccc12)N(c1cccc(Cl)c1)C1CCc2ccccc2C1

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cncc2ccccc12)N(c1cccc(Cl)c1)C1CCC2CCCCC2C1

MIC-UNK-cdc2493e-8

O=C(Nc1cncc2ccccc12)N(c1cccc(Cl)c1)C1CCC2CCCCC2C1

3-aminopyridine-like Check Availability on Manifold View
CC(=O)NC1CCC(N(C(=O)Nc2cncc3ccccc23)c2cccc(Cl)c2)CC1

MIC-UNK-cdc2493e-9

CC(=O)NC1CCC(N(C(=O)Nc2cncc3ccccc23)c2cccc(Cl)c2)CC1

3-aminopyridine-like Check Availability on Manifold View
CC(=O)NC1CCC(N(C(=O)Nc2cncc3ccccc23)c2cccc(Cl)c2)C1

MIC-UNK-cdc2493e-10

CC(=O)NC1CCC(N(C(=O)Nc2cncc3ccccc23)c2cccc(Cl)c2)C1

3-aminopyridine-like Check Availability on Manifold View
CN(C)C1CCC(N(C(=O)Nc2cncc3ccccc23)c2cccc(Cl)c2)CC1

MIC-UNK-cdc2493e-11

CN(C)C1CCC(N(C(=O)Nc2cncc3ccccc23)c2cccc(Cl)c2)CC1

3-aminopyridine-like Check Availability on Manifold View
CN(C)C1CCC(N(C(=O)Nc2cncc3ccccc23)c2cccc(Cl)c2)C1

MIC-UNK-cdc2493e-12

CN(C)C1CCC(N(C(=O)Nc2cncc3ccccc23)c2cccc(Cl)c2)C1

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cncc2ccccc12)N(c1cccc(Cl)c1)C1CCC(N2CCCCC2)CC1

MIC-UNK-cdc2493e-13

O=C(Nc1cncc2ccccc12)N(c1cccc(Cl)c1)C1CCC(N2CCCCC2)CC1

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cncc2ccccc12)N(c1cccc(Cl)c1)C1CCC(N2CCCCC2)C1

MIC-UNK-cdc2493e-14

O=C(Nc1cncc2ccccc12)N(c1cccc(Cl)c1)C1CCC(N2CCCCC2)C1

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cncc2ccccc12)N(CCC1CCCS1(=O)=O)c1cccc(Cl)c1

MIC-UNK-cdc2493e-15

O=C(Nc1cncc2ccccc12)N(CCC1CCCS1(=O)=O)c1cccc(Cl)c1

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cncc2ccccc12)N(CCc1ccco1)c1cccc(Cl)c1

MIC-UNK-cdc2493e-16

O=C(Nc1cncc2ccccc12)N(CCc1ccco1)c1cccc(Cl)c1

3-aminopyridine-like Check Availability on Manifold View
CC(=O)N1CCC(N(C(=O)Nc2cncc3ccccc23)c2cccc(Cl)c2)CC1

MIC-UNK-cdc2493e-17

CC(=O)N1CCC(N(C(=O)Nc2cncc3ccccc23)c2cccc(Cl)c2)CC1

3-aminopyridine-like Check Availability on Manifold View
CC(=O)N1CCC(N(C(=O)Nc2cncc3ccccc23)c2cccc(Cl)c2)C1

MIC-UNK-cdc2493e-18

CC(=O)N1CCC(N(C(=O)Nc2cncc3ccccc23)c2cccc(Cl)c2)C1

3-aminopyridine-like Check Availability on Manifold View
CC(C)CCCN(C(=O)Nc1cncc2ccccc12)c1cccc(Cl)c1

MIC-UNK-cdc2493e-19

CC(C)CCCN(C(=O)Nc1cncc2ccccc12)c1cccc(Cl)c1

3-aminopyridine-like Check Availability on Manifold View
CC(=O)N(C)C1CCC(N(C(=O)Nc2cncc3ccccc23)c2cccc(Cl)c2)CC1

MIC-UNK-cdc2493e-20

CC(=O)N(C)C1CCC(N(C(=O)Nc2cncc3ccccc23)c2cccc(Cl)c2)CC1

3-aminopyridine-like Check Availability on Manifold View
CC(=O)N(C)C1CCC(N(C(=O)Nc2cncc3ccccc23)c2cccc(Cl)c2)C1

MIC-UNK-cdc2493e-21

CC(=O)N(C)C1CCC(N(C(=O)Nc2cncc3ccccc23)c2cccc(Cl)c2)C1

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cncc2ccccc12)N(CCn1ccnn1)c1cccc(Cl)c1

MIC-UNK-cdc2493e-22

O=C(Nc1cncc2ccccc12)N(CCn1ccnn1)c1cccc(Cl)c1

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cncc2ccccc12)N(CCn1cnnc1)c1cccc(Cl)c1

MIC-UNK-cdc2493e-23

O=C(Nc1cncc2ccccc12)N(CCn1cnnc1)c1cccc(Cl)c1

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cncc2ccccc12)N(CCn1cncn1)c1cccc(Cl)c1

MIC-UNK-cdc2493e-24

O=C(Nc1cncc2ccccc12)N(CCn1cncn1)c1cccc(Cl)c1

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

Some replacements of cyclohexylethyl substituent. If I get everything correctly that pocket is rather nonpolar and the only polar interactions possible are with Ser46 and Thr25. Some amides like ALP-POS-c59291d4-2 seem to interact with the former.

Other Notes:

Structures with two stereocentres are meant as trans- isomers

Inspired By:
Discussion:

Contributor: Michal K - Sat, 10 Oct 2020 15:54:00 +0000