Submission Details

EDJ-MED-28ec730d
Molecule(s):
COCCC[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21

EDJ-MED-28ec730d-1

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

3-aminopyridine-like Check Availability on Manifold View
COCC[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21

EDJ-MED-28ec730d-2

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

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cncc2ccccc12)[C@]1(OC2CCOCC2)CCOc2ccc(Cl)cc21

EDJ-MED-28ec730d-3

O=C(Nc1cncc2ccccc12)[C@]1(OC2CCOCC2)CCOc2ccc(Cl)cc21

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cncc2ccccc12)[C@]1(OCc2cn[nH]c2)CCOc2ccc(Cl)cc21

EDJ-MED-28ec730d-4

O=C(Nc1cncc2ccccc12)[C@]1(OCc2cn[nH]c2)CCOc2ccc(Cl)cc21

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cncc2ccccc12)[C@]1(OCCc2cn[nH]c2)CCOc2ccc(Cl)cc21

EDJ-MED-28ec730d-5

O=C(Nc1cncc2ccccc12)[C@]1(OCCc2cn[nH]c2)CCOc2ccc(Cl)cc21

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

Ether and pyrazole substituents into P1' pocket designed to interact with Ser 46cf x10871

Other Notes:

Synthesis via allyl bromide alkylation of alpha anion on benzopyran ester followed by oxidation or hydroboration. Alternative could be chlorination of AKOS014744595 Enamine building block for first compound. Alpha hydroxy benzopyran acid is Enamine building block.

Discussion:

Contributor: Ed J Griffen, MedChemica Ltd - Tue, 20 Oct 2020 13:46:10 +0000