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Ligand

NameCHEMBL194995
Molecular formulaC28H29NO4
IUPAC name(4aS,6Z,7aR)-6-benzylidene-4a-hydroxy-9-methoxy-3-(2-methylprop-2-enyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
Molecular weight443.543
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.1
SynonymsN/A
Inchi KeyAGJZWNFWABFJAS-LGAOYVCXSA-N
Inchi IDInChI=1S/C28H29NO4/c1-17(2)16-29-12-11-27-23-19-9-10-21(32-3)25(23)33-26(27)24(30)20(13-18-7-5-4-6-8-18)15-28(27,31)22(29)14-19/h4-10,13,22,26,31H,1,11-12,14-16H2,2-3H3/b20-13-/t22?,26-,27?,28+/m0/s1
PubChem CID44401201
ChEMBLCHEMBL194995
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
4936Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372

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