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Ligand

NameCHEMBL495289
Molecular formulaC25H27NO3
IUPAC nameN-[[(2R)-5,5-diphenyl-1,4-dioxan-2-yl]methyl]-2-phenoxyethanamine
Molecular weight389.495
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.0
SynonymsBDBM50412787
Inchi KeyBQBVUOHGBBXQLG-XMMPIXPASA-N
Inchi IDInChI=1S/C25H27NO3/c1-4-10-21(11-5-1)25(22-12-6-2-7-13-22)20-28-24(19-29-25)18-26-16-17-27-23-14-8-3-9-15-23/h1-15,24,26H,16-20H2/t24-/m1/s1
PubChem CID44568818
ChEMBLCHEMBL495289
IUPHARN/A
BindingDB50412787
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
301245-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
30120Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
30125Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
30122Alpha-1B adrenergic receptorP15823Adra1bRattus norvegicus (Rat)515
30123Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
30119Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561
30121Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572

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