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Ligand

NameCHEMBL83391
Molecular formulaC24H24N4O2S2
IUPAC name3-[3-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]propyl]-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 2,2-dioxide
Molecular weight464.602
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP4.7
Synonyms2-[3-(4-Benzothiazol-2-yl-piperazin-1-yl)-propyl]-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide
BDBM50010046
2-[3-[4-(2-Benzothiazolyl)-1-piperazinyl]propyl]-2H-naphth[1,8-cd]isothiazole 1,1-dioxide
Inchi KeyAADXJQSANSVKFN-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H24N4O2S2/c29-32(30)22-11-4-7-18-6-3-9-20(23(18)22)28(32)13-5-12-26-14-16-27(17-15-26)24-25-19-8-1-2-10-21(19)31-24/h1-4,6-11H,5,12-17H2
PubChem CID15710739
ChEMBLCHEMBL83391
IUPHARN/A
BindingDB50010046
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
128D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444

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