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Ligand

NameCHEMBL413258
Molecular formulaC31H31N3O6
IUPAC name(E)-N-[(4aS,7aR)-3-(cyclopropylmethyl)-9-methoxy-7a-methyl-7-oxo-1,2,4,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl]-3-(4-nitrophenyl)prop-2-enamide
Molecular weight541.604
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.0
SynonymsBDBM50033650
Inchi KeyAKKJUDSRXGKWBT-BLGOHELNSA-N
Inchi IDInChI=1S/C31H31N3O6/c1-29-25(35)13-14-31(32-26(36)12-7-19-5-9-22(10-6-19)34(37)38)24-17-21-8-11-23(39-2)28(40-29)27(21)30(29,31)15-16-33(24)18-20-3-4-20/h5-14,20,24H,3-4,15-18H2,1-2H3,(H,32,36)/b12-7+/t24?,29-,30?,31+/m0/s1
PubChem CID44337243
ChEMBLCHEMBL413258
IUPHARN/A
BindingDB50033650
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
7626Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
7627Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
7628Mu-type opioid receptorP79350OPRM1Bos taurus (Bovine)401

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