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Ligand

NameACT 335827
Molecular formulaC31H38N2O5
IUPAC name(2R)-2-[(1S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenyl-N-propan-2-ylacetamide
Molecular weight518.654
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.5
SynonymsGTPL9122
AKOS024458449
SCHEMBL198063
(aR,1S)-1-[(3,4-Dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-N-(1-methylethyl)-a-phenyl-2(1H)-isoquinolineacetamide
CHEMBL2413367
[ Show all ]
Inchi KeyHXHOBPVRRPCTLG-SETSBSEESA-N
Inchi IDInChI=1S/C31H38N2O5/c1-20(2)32-31(34)30(22-10-8-7-9-11-22)33-15-14-23-18-28(37-5)29(38-6)19-24(23)25(33)16-21-12-13-26(35-3)27(17-21)36-4/h7-13,17-20,25,30H,14-16H2,1-6H3,(H,32,34)/t25-,30+/m0/s1
PubChem CID54765113
ChEMBLCHEMBL2413367
IUPHAR9122
BindingDB50438822
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
126236Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
553923Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
126235Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444
553922Orexin receptor type 2P56719Hcrtr2Rattus norvegicus (Rat)460

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