azelaprag   Click here for help

GtoPdb Ligand ID: 10061

Synonyms: AMG 986 | AMG-986 | AMG986 | example 263 [WO2016187308A1]
Compound class: Synthetic organic
Comment: Azelaprag (AMG 986) is an apelin receptor agonist that is claimed in Amgen's patent WO2016187308A1 (as example 263) [1]. The chemical structure is identical to that submitted to the WHO for the INN azelaprag. Apelin receptor agonists are being pursued for their clinical inotropic potential in the treatment of heart failure.
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 8
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 141.87
Molecular weight 523.2
XLogP 3.82
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES COc1cccc(c1n1c(nnc1c1cncc(c1)C)NS(=O)(=O)C(C(c1ncc(cn1)C)C)C)OC
Isomeric SMILES COc1cccc(c1n1c(nnc1c1cncc(c1)C)NS(=O)(=O)[C@H]([C@@H](c1ncc(cn1)C)C)C)OC
InChI InChI=1S/C25H29N7O4S/c1-15-10-19(14-26-11-15)24-29-30-25(32(24)22-20(35-5)8-7-9-21(22)36-6)31-37(33,34)18(4)17(3)23-27-12-16(2)13-28-23/h7-14,17-18H,1-6H3,(H,30,31)/t17-,18-/m0/s1
No information available.
Summary of Clinical Use Click here for help
A Phase 1 safety and tolerability clinical trial using intravenously delivered AMG 986 in healthy subjects and patients with heart failure is underway (as of August 2018)- see trial NCT03276728.
Clinical Trials
Clinical Trial ID Title Type Source Comment References
NCT03276728 Study to Evaluate the Safety and Tolerability of AMG 986 in Healthy Subjects and Heart Failure Patients Phase 1 Interventional Amgen