brimonidine   

GtoPdb Ligand ID: 520

Synonyms: Alphagan® | Lumify® | Mirvaso® | UK14,304 | UK14304
brimonidine 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
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
SMILES / InChI / InChIKey
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)
InChI Key XYLJNLCSTIOKRM-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1996), EMA (2014))
IUPAC Name
5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine
International Nonproprietary Names
INN number INN
6863 brimonidine
Synonyms
Alphagan® | Lumify® | Mirvaso® | UK14,304 | UK14304
Database Links
BindingDB Ligand 34572
CAS Registry No. 59803-98-4
ChEBI CHEBI:3175
ChEMBL Ligand CHEMBL844
DrugBank Ligand DB00484
DrugCentral Ligand 395
GtoPdb PubChem SID 135650022
PubChem CID 2435
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Wikipedia Brimonidine

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Tocris
UK 14,304
Cat. No. 0425