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Ligand

NameCHEMBL1940419
Molecular formulaC18H22FN3S
IUPAC name1-[3-(4-fluorophenyl)sulfanylpropyl]-4-pyridin-2-ylpiperazine
Molecular weight331.453
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.2
SynonymsBDBM50362864
Inchi KeyIESJRUUOIHDONG-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H22FN3S/c19-16-5-7-17(8-6-16)23-15-3-10-21-11-13-22(14-12-21)18-4-1-2-9-20-18/h1-2,4-9H,3,10-15H2
PubChem CID57401706
ChEMBLCHEMBL1940419
IUPHARN/A
BindingDB50362864
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: 11
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1314745-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
1314765-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
1314775-hydroxytryptamine receptor 2CP08909Htr2cRattus norvegicus (Rat)460
1314805-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
131478Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462
131479D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
131481D(1B) dopamine receptorP21918DRD5Homo sapiens (Human)477
131482D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
131483D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
131484D(4) dopamine receptorP30729Drd4Rattus norvegicus (Rat)387
131475Histamine H1 receptorP35367HRH1Homo sapiens (Human)487

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