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Ligand

NameCHEMBL185988
Molecular formulaC27H27N3O3
IUPAC name2-[[2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]isoindole-1,3-dione
Molecular weight441.531
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.8
SynonymsBDBM50155689
2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-benzyl}-isoindole-1,3-dione
Inchi KeyAXKCFTNCUWYHCN-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H27N3O3/c1-33-25-13-7-6-12-24(25)29-16-14-28(15-17-29)18-20-8-2-3-9-21(20)19-30-26(31)22-10-4-5-11-23(22)27(30)32/h2-13H,14-19H2,1H3
PubChem CID44395817
ChEMBLCHEMBL185988
IUPHARN/A
BindingDB50155689
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
167645-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
167635-hydroxytryptamine receptor 7P32305Htr7Rattus norvegicus (Rat)448

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