Submission Details

EDJ-MED-cc48ee33
Molecule(s):
Cn1nccc1C(=O)N1CC(C(=O)Nc2cncc3ccccc23)c2cc(Cl)ccc2C1=O

EDJ-MED-cc48ee33-1

Cn1nccc1C(=O)N1CC(C(=O)Nc2cncc3ccccc23)c2cc(Cl)ccc2C1=O

3-aminopyridine-like Check Availability on Manifold View
Cn1nccc1C(=O)N1CC2(CCN(c3cncc4ccccc34)C2=O)c2cc(Cl)ccc2C1=O

EDJ-MED-cc48ee33-2

Cn1nccc1C(=O)N1CC2(CCN(c3cncc4ccccc34)C2=O)c2cc(Cl)ccc2C1=O

3-aminopyridine-like Check Availability on Manifold View
Cn1nccc1C(=O)N1Cc2ccc(Cl)cc2C2(CCN(c3cncc4ccccc34)C2=O)C1

EDJ-MED-cc48ee33-3

Cn1nccc1C(=O)N1Cc2ccc(Cl)cc2C2(CCN(c3cncc4ccccc34)C2=O)C1

3-aminopyridine-like Check Availability on Manifold View
Cc1cnn(C)c1C(=O)N1Cc2ccc(Cl)cc2C2(CCN(c3cncc4ccccc34)C2=O)C1

EDJ-MED-cc48ee33-4

Cc1cnn(C)c1C(=O)N1Cc2ccc(Cl)cc2C2(CCN(c3cncc4ccccc34)C2=O)C1

3-aminopyridine-like Assayed Check Availability on Manifold View
Cc1cc(C(=O)N2Cc3ccc(Cl)cc3C3(CCN(c4cncc5ccccc45)C3=O)C2)n(C)n1

EDJ-MED-cc48ee33-5

Cc1cc(C(=O)N2Cc3ccc(Cl)cc3C3(CCN(c4cncc5ccccc45)C3=O)C2)n(C)n1

3-aminopyridine-like Assayed Check Availability on Manifold View
Cn1nccc1CN1CC(C(=O)Nc2cncc3ccccc23)c2cc(Cl)ccc2C1=O

EDJ-MED-cc48ee33-6

Cn1nccc1CN1CC(C(=O)Nc2cncc3ccccc23)c2cc(Cl)ccc2C1=O

3-aminopyridine-like Check Availability on Manifold View
Cn1nccc1CN1CC2(CCN(c3cncc4ccccc34)C2=O)c2cc(Cl)ccc2C1=O

EDJ-MED-cc48ee33-7

Cn1nccc1CN1CC2(CCN(c3cncc4ccccc34)C2=O)c2cc(Cl)ccc2C1=O

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

Design based round MAT-POS-4223bc15-40 which shows low dropoff enzyme--> A549 cells. Spiro and lactam variants.

Inspired By:
Discussion:

Contributor: Ed J Griffen, MedChemica Consultancy Ltd - Wed, 01 Dec 2021 12:46:19 +0000