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Ligand

NameCHEMBL521687
Molecular formulaC25H35N3O4S2
IUPAC name[4-[[6-[4-(2-methylsulfanylphenyl)piperazin-1-yl]hexanoylamino]methyl]phenyl] methanesulfonate
Molecular weight505.692
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.7
SynonymsBDBM50253284
N-(4-Methanesulfonyloxyphenylmethyl)-4-(2-methylthiophenyl)-1-piperazinehexanamide
Inchi KeyDINBMKNNYLFNIR-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H35N3O4S2/c1-33-24-9-6-5-8-23(24)28-18-16-27(17-19-28)15-7-3-4-10-25(29)26-20-21-11-13-22(14-12-21)32-34(2,30)31/h5-6,8-9,11-14H,3-4,7,10,15-20H2,1-2H3,(H,26,29)
PubChem CID25107581
ChEMBLCHEMBL521687
IUPHARN/A
BindingDB50253284
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
608955-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
608965-hydroxytryptamine receptor 7P32305Htr7Rattus norvegicus (Rat)448
60894D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443

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