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Ligand

NameCHEMBL2418838
Molecular formulaC31H37N3O6
IUPAC nameN-[(4-acetamidophenyl)methyl]-2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
Molecular weight547.652
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.7
SynonymsN/A
Inchi KeyAKKUAZDWKPTRTD-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H37N3O6/c1-20(35)33-24-9-6-21(7-10-24)18-32-31(36)19-34-13-12-23-16-29(39-4)30(40-5)17-25(23)26(34)14-22-8-11-27(37-2)28(15-22)38-3/h6-11,15-17,26H,12-14,18-19H2,1-5H3,(H,32,36)(H,33,35)
PubChem CID73293748
ChEMBLCHEMBL2418838
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
7639Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
7640Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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