Ligand id: 7360

Name: AZD1283

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 137.84
Molecular weight 470.16
XLogP 3.47
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Bach P, Antonsson T, Bylund R, Björkman JA, Österlund K, Giordanetto F, van Giezen JJ, Andersen SM, Zachrisson H, Zetterberg F. (2013)
Lead optimization of ethyl 6-aminonicotinate acyl sulfonamides as antagonists of the P2Y12 receptor. separation of the antithrombotic effect and bleeding for candidate drug AZD1283.
J. Med. Chem., 56 (17): 7015-24. [PMID:23899349]
2. Bach P, Boström J, Brickmann K, Burgess LE, Clarke D, Groneberg RD, Harvey DM, Laird ER, O'Sullivan M, Zetterberg F. (2013)
5-alkyl-1,3-oxazole derivatives of 6-amino-nicotinic acids as alkyl ester bioisosteres are antagonists of the P2Y12 receptor.
Future Med Chem, 5 (17): 2037-56. [PMID:24215345]
3. Zhang K, Zhang J, Gao ZG, Zhang D, Zhu L, Han GW, Moss SM, Paoletta S, Kiselev E, Lu W et al.. (2014)
Structure of the human P2Y12 receptor in complex with an antithrombotic drug.
Nature, 509 (7498): 115-8. [PMID:24670650]