osilodrostat   Click here for help

GtoPdb Ligand ID: 8310

Synonyms: Isturisa® | LCI-699 | LCI699
Approved drug PDB Ligand
osilodrostat is an approved drug (EMA & FDA (2020))
Compound class: Synthetic organic
Comment: Osilodrostat was designed as an inhibitor of aldosterone synthase (CYP11B2), but is also reported to inhibit the closely related enzyme, 11-beta-hydroxylase (CYP11B1) and hence as an inhibitor of cortisol biosynthesis [8]. It is this latter action of osilodrostat that is harnessed for clinical utility in Cushing's disease. The drug is orally bioavailable.
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 2
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 41.61
Molecular weight 227.09
XLogP 2.18
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES N#Cc1ccc(c(c1)F)C1CCc2n1cnc2
Isomeric SMILES N#Cc1ccc(c(c1)F)[C@H]1CCc2n1cnc2
InChI InChI=1S/C13H10FN3/c14-12-5-9(6-15)1-3-11(12)13-4-2-10-7-16-8-17(10)13/h1,3,5,7-8,13H,2,4H2/t13-/m1/s1
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