brimonidine (UK14304)   Click here for help

GtoPdb Ligand ID: 520

Synonyms: Alphagan® | Lumify® | Mirvaso® | UK14,304 | UK14304
Approved drug PDB Ligand Immunopharmacology Ligand
brimonidine (UK14304) is an approved drug (FDA (1996), EMA (2014))
Compound class: Synthetic organic
Comment: Brimonidine is an α-adrenoceptor agonist (primarily α2).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 62.2
Molecular weight 291.01
XLogP 1.18
No. Lipinski's rules broken 0
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Canonical SMILES Brc1c(ccc2c1nccn2)NC1=NCCN1
Isomeric SMILES Brc1c(ccc2c1nccn2)NC1=NCCN1
InChI InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
Immunopharmacology Comments
Brimonidine tartrate (OCU300 by Ocugen) has received FDA orphan drug designation for the treatment of ocular GvHD (granted August 2017- view the FDA's record here). This is the result of a re-purposing effort by Ocugen.