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Ligand

NameHigenamine glucoside
Molecular formulaC22H27NO8
IUPAC name(2S,3R,4S,5S,6R)-2-[4-[[(1S)-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular weight433.457
Hydrogen bond acceptor9
Hydrogen bond donor7
XlogP0.4
SynonymsCHEMBL3585932
Inchi KeyOEUGQYOMKCJJLJ-LOZMKZQPSA-N
Inchi IDInChI=1S/C22H27NO8/c24-10-18-19(27)20(28)21(29)22(31-18)30-13-3-1-11(2-4-13)7-15-14-9-17(26)16(25)8-12(14)5-6-23-15/h1-4,8-9,15,18-29H,5-7,10H2/t15-,18+,19+,20-,21+,22+/m0/s1
PubChem CID102335359
ChEMBLCHEMBL3585932
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
492646Beta-2 adrenergic receptorP10608Adrb2Rattus norvegicus (Rat)418

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