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Ligand

NameCHEMBL121065
Molecular formulaC22H28N4O3S
IUPAC name3-[4-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]butyl]-1-thia-3-azaspiro[4.4]nonane-2,4-dione
Molecular weight428.551
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP3.8
Synonyms3-[4-(4-Benzo[d]isoxazol-3-yl-piperazin-1-yl)-butyl]-1-thia-3-aza-spiro[4.4]nonane-2,4-dione
BDBM50019370
SCHEMBL11084172
Inchi KeyACFQQGWJDCVCLT-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H28N4O3S/c27-20-22(9-3-4-10-22)30-21(28)26(20)12-6-5-11-24-13-15-25(16-14-24)19-17-7-1-2-8-18(17)29-23-19/h1-2,7-8H,3-6,9-16H2
PubChem CID13320444
ChEMBLCHEMBL121065
IUPHARN/A
BindingDB50019370
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
1519D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444

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