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Ligand

NameMLS000834357
Molecular formulaC28H32F3NO4
IUPAC nameazocan-1-yl-[(2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-yl]methanone
Molecular weight503.562
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.5
SynonymsCHEMBL1462559
DHPC10_000990
DHPC11_001111
SMR000389654
azocan-1-yl((2R,4R)-2-(4-(hydroxymethyl)benzyloxy)-4-(4-(trifluoromethyl)phenyl)-3,4-dihydro-2H-pyran-6-yl)methanone
Inchi KeyABOLDSLNPDUTTK-JYFHCDHNSA-N
Inchi IDInChI=1S/C28H32F3NO4/c29-28(30,31)24-12-10-22(11-13-24)23-16-25(27(34)32-14-4-2-1-3-5-15-32)36-26(17-23)35-19-21-8-6-20(18-33)7-9-21/h6-13,16,23,26,33H,1-5,14-15,17-19H2/t23-,26+/m0/s1
PubChem CID16195787
ChEMBLCHEMBL1462559
IUPHARN/A
BindingDBN/A
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1002Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
1003Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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