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Ligand

NameCHEMBL288450
Molecular formulaC23H26N4O2S
IUPAC name2-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethoxy]ethyl]-3H-isoindol-1-one
Molecular weight422.547
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.2
SynonymsSCHEMBL9378095
BDBM50048809
2-[5-[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]-3-oxapentan-1-yl]isoindolin-1-one
2-{2-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-ethoxy]-ethyl}-2,3-dihydro-isoindol-1-one
Inchi KeyABANXTFMSGCHMG-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H26N4O2S/c28-23-19-6-2-1-5-18(19)17-27(23)14-16-29-15-13-25-9-11-26(12-10-25)22-20-7-3-4-8-21(20)30-24-22/h1-8H,9-17H2
PubChem CID10764716
ChEMBLCHEMBL288450
IUPHARN/A
BindingDB50048809
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
7095-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
710D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444

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