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Ligand

NameCHEMBL476363
Molecular formulaC20H23N3O2S
IUPAC name2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylsulfanyl]-1,3-benzoxazole
Molecular weight369.483
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.2
Synonyms2-[[2-[4-(2-Methoxyphenyl)-1-piperazinyl]ethyl]thio]benzoxazole
BDBM50263258
Inchi KeyAEFFAERGIKPYMK-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H23N3O2S/c1-24-19-9-5-3-7-17(19)23-12-10-22(11-13-23)14-15-26-20-21-16-6-2-4-8-18(16)25-20/h2-9H,10-15H2,1H3
PubChem CID24949537
ChEMBLCHEMBL476363
IUPHARN/A
BindingDB50263258
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
34125-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422

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