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Ligand

NameCHEMBL494908
Molecular formulaC20H25NO4
IUPAC name2-(2-methoxyphenoxy)-N-[[(2R,5S)-5-phenyl-1,4-dioxan-2-yl]methyl]ethanamine
Molecular weight343.423
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.5
SynonymsBDBM50412779
Inchi KeyFBLWRLZXMWQVMJ-YLJYHZDGSA-N
Inchi IDInChI=1S/C20H25NO4/c1-22-18-9-5-6-10-19(18)23-12-11-21-13-17-14-25-20(15-24-17)16-7-3-2-4-8-16/h2-10,17,20-21H,11-15H2,1H3/t17-,20-/m1/s1
PubChem CID25130875
ChEMBLCHEMBL494908
IUPHARN/A
BindingDB50412779
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
743165-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
74317Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
74319Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
74318Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
74320Alpha-1B adrenergic receptorP15823Adra1bRattus norvegicus (Rat)515
74314Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572
74315Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561

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