Submission Details

BEN-DND-f2e727cd
Molecule(s):
O=C(Nc1cncc2ccccc12)N1CCOc2ccc(Cl)cc21

BEN-DND-f2e727cd-1

O=C(Nc1cncc2ccccc12)N1CCOc2ccc(Cl)cc21

3-aminopyridine-like Assayed Check Availability on Manifold View
O=C(Nc1cncc2ccccc12)N1CCNc2ccc(Cl)cc21

BEN-DND-f2e727cd-2

O=C(Nc1cncc2ccccc12)N1CCNc2ccc(Cl)cc21

3-aminopyridine-like Check Availability on Manifold View
CN1CCN(C(=O)Nc2cncc3ccccc23)c2cc(Cl)ccc21

BEN-DND-f2e727cd-3

CN1CCN(C(=O)Nc2cncc3ccccc23)c2cc(Cl)ccc21

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cncc2ccccc12)C1COCc2ccc(Cl)cc21

BEN-DND-f2e727cd-4

O=C(Nc1cncc2ccccc12)C1COCc2ccc(Cl)cc21

3-aminopyridine-like Assayed Check Availability on Manifold View
O=C(Nc1cncc2ccccc12)C1CNCc2ccc(Cl)cc21

BEN-DND-f2e727cd-5

O=C(Nc1cncc2ccccc12)C1CNCc2ccc(Cl)cc21

3-aminopyridine-like Assayed Check Availability on Manifold View
CN1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3ccccc23)C1

BEN-DND-f2e727cd-6

CN1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3ccccc23)C1

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

Lowering LogD of MAT-POS-b3e365b9-1 like componuds via a) urea instead of amide and b) moving ether / amine atom in semi-saturated ring further out

Inspired By:
Discussion:

Contributor: Benjamin Perry, DNDI - Thu, 05 Nov 2020 15:53:32 +0000