Name: Name:GSK180736A
Brand: AABLOCKS
SKU: AA01EO3Z
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA01EO3Z

Chemical Name: GSK180736A

CAS Number: 817194-38-0

Molecular Formula: C19H16FN5O2

Molecular Weight: 365.3610

MDL Number: MFCD30533616

SMILES: O=C1NC(=C(C(N1)c1ccc(cc1)F)C(=O)Nc1ccc2c(c1)cn[nH]2)C

Properties

Complexity: 632

Covalently-Bonded Unit Count: 1

Heavy Atom Count: 27

Hydrogen Bond Acceptor Count: 4

Hydrogen Bond Donor Count: 4

Rotatable Bond Count: 3

Undefined Atom Stereocenter Count: 1

XLogP3: 1.7

Literature fold

Title: Identification of potent Yes1 kinase inhibitors using a library screening approach.

Journal: Bioorganic & medicinal chemistry letters20130801

Title: Potent, selective and orally bioavailable dihydropyrimidine inhibitors of Rho kinase (ROCK1) as potential therapeutic agents for cardiovascular diseases.

Journal: Journal of medicinal chemistry20081113

Title: Development of dihydropyridone indazole amides as selective Rho-kinase inhibitors.

Journal: Journal of medicinal chemistry20070111

Title: Waldschmidt HV, et al. Structure-Based Design, Synthesis, and Biological Evaluation of Highly Selective and Potent G Protein-Coupled Receptor Kinase 2 Inhibitors. J Med Chem. 2016 Apr 28;59(8):3793-807.

817194-38-0 | GSK180736A