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Ligand

NameN-Methyl-3-phenyl-3-(o-tolyloxy)propan-1-amine
Molecular formulaC17H21NO
IUPAC nameN-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine
Molecular weight255.361
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP3.7
Synonyms63940-51-2
VHGCDTVCOLNTBX-UHFFFAOYSA-N
Methyl-(3-phenyl-3-o-tolyloxy-propyl)-amine
(S)-Tomoxetine
Atomoxetine [INN]
[ Show all ]
Inchi KeyVHGCDTVCOLNTBX-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3
PubChem CID6850813
ChEMBLCHEMBL299052
IUPHARN/A
BindingDB50022784
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: 39
Page:  / 2 

GLASS IDNameUniProtGeneSpeciesLength
3551445-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
3551635-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
3551495-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
3551465-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
3551365-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
3551385-hydroxytryptamine receptor 4O70528HTR4Cavia porcellus (Guinea pig)388
3551605-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
3551585-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
355159Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
355169Adenosine receptor A2bQ1LZD0ADORA2BBos taurus (Bovine)332
355156Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
556948Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
355152Alpha-1B adrenergic receptorP15823Adra1bRattus norvegicus (Rat)515
355139Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
556947Alpha-2B adrenergic receptorP30545Adra2bMus musculus (Mouse)450
355140Alpha-2C adrenergic receptorP22086Adra2cRattus norvegicus (Rat)458
355150Beta-1 adrenergic receptorP18090Adrb1Rattus norvegicus (Rat)466
462275Beta-2 adrenergic receptorP10608Adrb2Rattus norvegicus (Rat)418
355143D(1A) dopamine receptorP18901Drd1Rattus norvegicus (Rat)446
355145D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446

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