AZD1283   Click here for help

GtoPdb Ligand ID: 7360

Synonyms: AZD 1283 | AZD-1283
PDB Ligand
Compound class: Synthetic organic
Comment: Antagonist of P2Y12 developed as non-nucleoside analogue alternative to marketed inhibitors such as ticagrelor [1,4]. An antiplatelet agent that is orally bioavailable and has improved drug-like properties was discovered through optimization of AZD1283 [3].
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 137.84
Molecular weight 470.16
XLogP 2.97
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1
Isomeric SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1
InChI InChI=1S/C23H26N4O5S/c1-3-32-23(29)20-13-19(14-24)21(25-16(20)2)27-11-9-18(10-12-27)22(28)26-33(30,31)15-17-7-5-4-6-8-17/h4-8,13,18H,3,9-12,15H2,1-2H3,(H,26,28)
Download 2D Structure Click here for help
Canonical SMILES Download
Isomeric SMILES Download
InChI standard identifier Download
InChI standard key Download

Molecular structure representations generated using Open Babel