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Ligand

NameCHEMBL157840
Molecular formulaC24H29N3O4
IUPAC name1-(2-hydroxyphenyl)-6-[4-(5-methoxy-1,2-benzoxazol-3-yl)piperazin-1-yl]hexan-1-one
Molecular weight423.513
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.5
SynonymsBDBM50123700
1-(2-Hydroxy-phenyl)-6-[4-(5-methoxy-benzo[d]isoxazol-3-yl)-piperazin-1-yl]-hexan-1-one
Inchi KeyBLJLFJSNEJZSQQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H29N3O4/c1-30-18-10-11-23-20(17-18)24(25-31-23)27-15-13-26(14-16-27)12-6-2-3-8-21(28)19-7-4-5-9-22(19)29/h4-5,7,9-11,17,29H,2-3,6,8,12-16H2,1H3
PubChem CID11122723
ChEMBLCHEMBL157840
IUPHARN/A
BindingDB50123700
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
266925-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
266935-hydroxytryptamine receptor 7P32305Htr7Rattus norvegicus (Rat)448

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