[3H]brimonidine (UK14304)   Click here for help

GtoPdb Ligand ID: 5386

Synonyms: [3H]-UK14304
PDB Ligand  Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
Comment: Radio-labelled analogue of brimonidine (UK14304).
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 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
Click here for help
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 Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine
Synonyms Click here for help
[3H]-UK14304
Database Links Click here for help
Specialist databases
GPCRdb Ligand [3H]brimonidine (UK14304)
Other databases
ChEMBL Ligand CHEMBL844
DrugCentral Ligand 395
GtoPdb PubChem SID 178102044
PubChem CID 2435
RCSB PDB Ligand J59
Search Google for chemical match using the InChIKey XYLJNLCSTIOKRM-UHFFFAOYSA-N
Search Google for chemicals with the same backbone XYLJNLCSTIOKRM
UniChem Compound Search for chemical match using the InChIKey XYLJNLCSTIOKRM-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey XYLJNLCSTIOKRM-UHFFFAOYSA-N

Product suppliers

View disclaimer

Tocris
UK 14,304 (links to external site)
Cat. No. 0425