BRIMONIDINE

/static/temp/default.svg Search structure
Trade Names
Synonyms
Status
Molecule Category Free-form
ATC D11AX21 S01EA05 S01GA07
UNII E6GNX3HHTE
EPA CompTox DTXSID3045221

Structure

InChI Key XYLJNLCSTIOKRM-UHFFFAOYSA-N
Smiles Brc1c(NC2=NCCN2)ccc2nccnc12
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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H10BrN5
Molecular Weight 292.14
AlogP 1.76
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 62.2
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 17.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
0.6166-281.84 3-3.6 - 1.413-933.25 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Capnocytophaga
- - - 52 -
Cricetulus griseus
- - - 2.4 -
Homo sapiens
0.6166-281.84 - - 1.413-933.25 -
Rattus norvegicus
- - - - 100

Cross References

Resources Reference
ChEBI 3175
ChEMBL CHEMBL844
DrugBank DB00484
DrugCentral 395
FDA SRS E6GNX3HHTE
Human Metabolome Database HMDB0014627
Guide to Pharmacology 520
KEGG C07886
PharmGKB PA448665
PubChem 2435
SureChEMBL SCHEMBL24670
ZINC ZINC000021303210
CONTENTS