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Ligand

NameCHEMBL62911
Molecular formulaC21H23N4S+
IUPAC name8-(4-benzyl-4-methylpiperazin-4-ium-1-yl)-3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene
Molecular weight363.503
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP4.6
SynonymsBDBM50407756
Inchi KeyCHXZPUOMGXBHFG-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H23N4S/c1-25(16-17-6-3-2-4-7-17)13-11-23(12-14-25)20-19-8-5-10-24(19)21-18(22-20)9-15-26-21/h2-10,15H,11-14,16H2,1H3/q+1
PubChem CID10719857
ChEMBLCHEMBL62911
IUPHARN/A
BindingDB50407756
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
424085-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
424105-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
424095-hydroxytryptamine receptor 1DP79400HTR1DSus scrofa (Pig)291
424115-hydroxytryptamine receptor 2AQ75Z89HTR2ABos taurus (Bovine)470
424075-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458

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