Submission Details

EDJ-MED-009f762b
Molecule(s):
Cn1ccc(CN2Cc3ccc(Cl)cc3[C@H](C(=O)Nc3cncc4ccc(F)cc34)C2)n1

EDJ-MED-009f762b-1

Cn1ccc(CN2Cc3ccc(Cl)cc3[C@H](C(=O)Nc3cncc4ccc(F)cc34)C2)n1

3-aminopyridine-like Ordered Check Availability on Manifold View
Cc1nc(CN2Cc3ccc(Cl)cc3[C@H](C(=O)Nc3cncc4ccc(F)cc34)C2)cs1

EDJ-MED-009f762b-2

Cc1nc(CN2Cc3ccc(Cl)cc3[C@H](C(=O)Nc3cncc4ccc(F)cc34)C2)cs1

3-aminopyridine-like Ordered Check Availability on Manifold View
Cn1cc(CN2Cc3ccc(Cl)cc3[C@H](C(=O)Nc3cncc4ccc(F)cc34)C2)nn1

EDJ-MED-009f762b-3

Cn1cc(CN2Cc3ccc(Cl)cc3[C@H](C(=O)Nc3cncc4ccc(F)cc34)C2)nn1

3-aminopyridine-like Ordered Check Availability on Manifold View
Cc1nc(CN2Cc3ccc(Cl)cc3[C@H](C(=O)Nc3cncc4ccc(F)cc34)C2)c[nH]1

EDJ-MED-009f762b-4

Cc1nc(CN2Cc3ccc(Cl)cc3[C@H](C(=O)Nc3cncc4ccc(F)cc34)C2)c[nH]1

3-aminopyridine-like Ordered Check Availability on Manifold View
CN(C)C(=O)CN1Cc2ccc(Cl)cc2[C@H](C(=O)Nc2cncc3ccc(F)cc23)C1

EDJ-MED-009f762b-5

CN(C)C(=O)CN1Cc2ccc(Cl)cc2[C@H](C(=O)Nc2cncc3ccc(F)cc23)C1

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

Reductive amination with proximate hydrogen bond accepting groups to improve solubility and potency. Additionally electron poor heterocycles should reduce the pKa of the tetrahydroisoquinoline ring basic nitrogen, reducing the hERG and possible dopamine and opioid receptor secondary pharmacology risks.

Inspired By:
Discussion:

Contributor: Ed J Griffen, MedChemica Ltd - Fri, 26 Mar 2021 13:58:33 +0000