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Ligand

NameCHEMBL517962
Molecular formulaC19H22N4OS
IUPAC name2-[3-(4-pyridin-2-ylpiperazin-1-yl)propylsulfanyl]-1,3-benzoxazole
Molecular weight354.472
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.9
SynonymsBDBM50262639
2-[[3-[4-(Pyridin-2-yl)-1-piperazinyl]propyl]thio]benzoxazole
Inchi KeyAHNRDNGNUMIWLX-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H22N4OS/c1-2-7-17-16(6-1)21-19(24-17)25-15-5-10-22-11-13-23(14-12-22)18-8-3-4-9-20-18/h1-4,6-9H,5,10-15H2
PubChem CID24949388
ChEMBLCHEMBL517962
IUPHARN/A
BindingDB50262639
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
57145-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
57155-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
5713D(1A) dopamine receptorP18901Drd1Rattus norvegicus (Rat)446
5716D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444

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