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Ligand

NamePD-168077
Molecular formulaC20H22N4O
IUPAC nameN-[[4-(2-cyanophenyl)piperazin-1-yl]methyl]-3-methylbenzamide
Molecular weight334.423
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.0
Synonyms190383-31-4
AC1MURTZ
AKOS028108749
BCP08352
BDBM50058225
[ Show all ]
Inchi KeyDNULYRGWTFLJQL-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H22N4O/c1-16-5-4-7-17(13-16)20(25)22-15-23-9-11-24(12-10-23)19-8-3-2-6-18(19)14-21/h2-8,13H,9-12,15H2,1H3,(H,22,25)
PubChem CID3645619
ChEMBLCHEMBL45244
IUPHAR975
BindingDB50058225
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
646685-hydroxytryptamine receptor 1AQ64264Htr1aMus musculus (Mouse)421
646655-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
64667Adenosine receptor A2bP29276Adora2bRattus norvegicus (Rat)332
64673Alpha-2A adrenergic receptorP22909Adra2aRattus norvegicus (Rat)450
64669D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
64671D(1A) dopamine receptorQ95136DRD1Bos taurus (Bovine)446
64666D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
64670D(2) dopamine receptorP20288DRD2Bos taurus (Bovine)444
64674D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
64664D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467
553574D(4) dopamine receptorP30729Drd4Rattus norvegicus (Rat)387
64675Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460

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