Submission Details

ALF-EVA-07677224
Molecule(s):
Cc1nc(S(=O)(=O)N2Cc3ccc(Cl)cc3C(C(=O)Nc3cncc4ccccc34)C2)ns1

ALF-EVA-07677224-1

Cc1nc(S(=O)(=O)N2Cc3ccc(Cl)cc3C(C(=O)Nc3cncc4ccccc34)C2)ns1

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cncc2ccccc12)C1CN(S(=O)(=O)c2ccc(F)s2)Cc2ccc(Cl)cc21

ALF-EVA-07677224-2

O=C(Nc1cncc2ccccc12)C1CN(S(=O)(=O)c2ccc(F)s2)Cc2ccc(Cl)cc21

3-aminopyridine-like Check Availability on Manifold View
N#CC(F)(F)S(=O)(=O)N1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3ccccc23)C1

ALF-EVA-07677224-3

N#CC(F)(F)S(=O)(=O)N1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3ccccc23)C1

3-aminopyridine-like Check Availability on Manifold View
CC1OCCC1S(=O)(=O)N1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3ccccc23)C1

ALF-EVA-07677224-4

CC1OCCC1S(=O)(=O)N1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3ccccc23)C1

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cncc2ccccc12)C1CN(S(=O)(=O)c2cccnn2)Cc2ccc(Cl)cc21

ALF-EVA-07677224-5

O=C(Nc1cncc2ccccc12)C1CN(S(=O)(=O)c2cccnn2)Cc2ccc(Cl)cc21

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cncc2ccccc12)C1CN(S(=O)(=O)c2cnns2)Cc2ccc(Cl)cc21

ALF-EVA-07677224-6

O=C(Nc1cncc2ccccc12)C1CN(S(=O)(=O)c2cnns2)Cc2ccc(Cl)cc21

3-aminopyridine-like Check Availability on Manifold View
COC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C(C(=O)Nc3cncc4ccccc34)C2)CC1

ALF-EVA-07677224-7

COC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C(C(=O)Nc3cncc4ccccc34)C2)CC1

3-aminopyridine-like Assayed Check Availability on Manifold View
Cn1cnc(S(=O)(=O)N2Cc3ccc(Cl)cc3C(C(=O)Nc3cncc4ccccc34)C2)c1

ALF-EVA-07677224-8

Cn1cnc(S(=O)(=O)N2Cc3ccc(Cl)cc3C(C(=O)Nc3cncc4ccccc34)C2)c1

3-aminopyridine-like Check Availability on Manifold View
CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C(C(=O)Nc3cncc4ccccc34)C2)CNC1

ALF-EVA-07677224-9

CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C(C(=O)Nc3cncc4ccccc34)C2)CNC1

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cncc2ccccc12)C1CN(S(=O)(=O)c2nnc[nH]2)Cc2ccc(Cl)cc21

ALF-EVA-07677224-10

O=C(Nc1cncc2ccccc12)C1CN(S(=O)(=O)c2nnc[nH]2)Cc2ccc(Cl)cc21

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

Designed using Evariste's proprietary design platform, Frobenius. Utilises ligand data only, not structural information in the first instance. Model built using fluorescence IC50 data available as of 10/05/21. All based on commercially available sulfonyl chlorides (not necessarily in stock, e.g. MADE building block).

Inspired By:
Discussion:

Contributor: Alfie Brennan, Evariste Technologies - Wed, 12 May 2021 12:27:08 +0000