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Ligand

NameCHEMBL2164296
Molecular formulaC27H27F3N2O5
IUPAC nameN-[(4R,4aS,7R,7aR,12bS)-4a,9-dihydroxy-3-prop-2-enyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-4-(trifluoromethoxy)benzamide
Molecular weight516.517
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP2.4
SynonymsBDBM50395105
Inchi KeyFQGKTZIDXYOEDG-HJUABUFYSA-N
Inchi IDInChI=1S/C27H27F3N2O5/c1-2-12-32-13-11-25-21-16-5-8-19(33)22(21)36-23(25)18(9-10-26(25,35)20(32)14-16)31-24(34)15-3-6-17(7-4-15)37-27(28,29)30/h2-8,18,20,23,33,35H,1,9-14H2,(H,31,34)/t18-,20-,23+,25+,26-/m1/s1
PubChem CID60195637
ChEMBLCHEMBL2164296
IUPHARN/A
BindingDB50395105
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
84654Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
84655Kappa-type opioid receptorP33534Oprk1Mus musculus (Mouse)380
84653Mu-type opioid receptorP42866Oprm1Mus musculus (Mouse)398

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