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Ligand

NameCHEMBL160817
Molecular formulaC23H27N3O3
IUPAC name6-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]-1-(2-hydroxyphenyl)hexan-1-one
Molecular weight393.487
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.6
Synonyms6-(4-Benzo[d]isoxazol-3-yl-piperazin-1-yl)-1-(2-hydroxy-phenyl)-hexan-1-one
BDBM50123697
Inchi KeyBWXABDUNWUIBLQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H27N3O3/c27-20(18-8-3-5-11-21(18)28)10-2-1-7-13-25-14-16-26(17-15-25)23-19-9-4-6-12-22(19)29-24-23/h3-6,8-9,11-12,28H,1-2,7,10,13-17H2
PubChem CID10430685
ChEMBLCHEMBL160817
IUPHARN/A
BindingDB50123697
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: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
348115-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
348165-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
348155-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
348175-hydroxytryptamine receptor 7P32305Htr7Rattus norvegicus (Rat)448
34814D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
34813D(3) dopamine receptorP19020Drd3Rattus norvegicus (Rat)446
34812D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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