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Ligand

NameCHEMBL61861
Molecular formulaC19H19F3NO3-
IUPAC name2-[methyl-[(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]acetate
Molecular weight366.36
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP2.5
SynonymsNCGC00162043-03
NCGC00162043-01
ORG-24598
BDBM50421506
NCGC00162043-02
Inchi KeyKZWQAWBTWNPFPW-QGZVFWFLSA-M
Inchi IDInChI=1S/C19H20F3NO3/c1-23(13-18(24)25)12-11-17(14-5-3-2-4-6-14)26-16-9-7-15(8-10-16)19(20,21)22/h2-10,17H,11-13H2,1H3,(H,24,25)/p-1/t17-/m1/s1
PubChem CID16759590
ChEMBLN/A
IUPHARN/A
BindingDB50421506
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: 12
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5630615-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
5630675-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
5630565-hydroxytryptamine receptor 2CP08909Htr2cRattus norvegicus (Rat)460
5630645-hydroxytryptamine receptor 6P31388Htr6Rattus norvegicus (Rat)436
5630635-hydroxytryptamine receptor 7P32305Htr7Rattus norvegicus (Rat)448
563057Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
563060Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
563062Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462
563059Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
563058Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
563066D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
563065D(4) dopamine receptorP30729Drd4Rattus norvegicus (Rat)387

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