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Ligand

NameCHEMBL610885
Molecular formulaC30H31N3O6
IUPAC name(E)-N-[(4R,4aS,7aR,12bR)-3-(cyclopropylmethyl)-9-methoxy-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl]-3-(4-nitrophenyl)prop-2-enamide
Molecular weight529.593
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.2
SynonymsBDBM50033652
1N-[4-cyclopropylmethyl-10-methoxy-14-oxo-(13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-17-yl]-4-(4-nitrophenyl)-(Z)-2-butenamide
14-[(4-Nitrocinnamoyl)amino]-4,5alpha-epoxy-17-(cyclopropylmethyl)-3-methoxymorphinan-6-one
Inchi KeyHIVXXDSZTCJSFW-WDJVXPEUSA-N
Inchi IDInChI=1S/C30H31N3O6/c1-38-23-10-7-20-16-24-30(31-25(35)11-6-18-4-8-21(9-5-18)33(36)37)13-12-22(34)28-29(30,26(20)27(23)39-28)14-15-32(24)17-19-2-3-19/h4-11,19,24,28H,2-3,12-17H2,1H3,(H,31,35)/b11-6+/t24-,28+,29+,30-/m1/s1
PubChem CID11849246
ChEMBLCHEMBL610885
IUPHARN/A
BindingDB50033652
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
116077Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
116079Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
116078Mu-type opioid receptorP79350OPRM1Bos taurus (Bovine)401

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