Submission Details

DAR-DIA-06c53477
Molecule(s):
O=C(Nc1cncc2c1CNCC2)C1CCNc2cc(Cl)c(Cl)cc21

DAR-DIA-06c53477-1

O=C(Nc1cncc2c1CNCC2)C1CCNc2cc(Cl)c(Cl)cc21

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cncc2c1CNCC2)[C@@H]1CCNc2cc(Cl)c(Cl)cc21

DAR-DIA-06c53477-2

O=C(Nc1cncc2c1CNCC2)[C@@H]1CCNc2cc(Cl)c(Cl)cc21

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cncc2c1CNCC2)[C@H]1CCNc2cc(Cl)c(Cl)cc21

DAR-DIA-06c53477-3

O=C(Nc1cncc2c1CNCC2)[C@H]1CCNc2cc(Cl)c(Cl)cc21

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cncc2c1CNCC2)C1CCNc2ccc(Cl)cc21

DAR-DIA-06c53477-4

O=C(Nc1cncc2c1CNCC2)C1CCNc2ccc(Cl)cc21

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cncc2c1CNCC2)[C@H]1CCNc2ccc(Cl)cc21

DAR-DIA-06c53477-5

O=C(Nc1cncc2c1CNCC2)[C@H]1CCNc2ccc(Cl)cc21

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cncc2c1CNCC2)[C@@H]1CCNc2ccc(Cl)cc21

DAR-DIA-06c53477-6

O=C(Nc1cncc2c1CNCC2)[C@@H]1CCNc2ccc(Cl)cc21

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

Tetrahydroisoquinoline analogues of BEN-DND-c852c98b-10 with additional chloro substituent.

Other Notes:

Based on the crystal structure of BEN-DND-c852c98b-10 the tetrahydronapthyridine is picking up an extra interaction with Asn14 and addition of the nitrogen improves the logP of ALP-UNI-8d415491-2.

Inspired By:
Discussion:

Contributor: Daren Fearon, Diamond Light Source Ltd - Tue, 06 Apr 2021 11:25:11 +0000