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Ligand

NameCHEMBL123048
Molecular formulaC25H34N4O2S
IUPAC name8-[4-[4-(1,2-benzothiazol-3-yl)-1,4-diazepan-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione
Molecular weight454.633
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.6
Synonyms8-[4-(4-Benzo[d]isothiazol-3-yl-[1,4]diazepan-1-yl)-butyl]-8-aza-spiro[4.5]decane-7,9-dione
BDBM50019374
Inchi KeyAEOVKEFMKKZVSG-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H34N4O2S/c30-22-18-25(10-3-4-11-25)19-23(31)29(22)15-6-5-12-27-13-7-14-28(17-16-27)24-20-8-1-2-9-21(20)32-26-24/h1-2,8-9H,3-7,10-19H2
PubChem CID13568463
ChEMBLCHEMBL123048
IUPHARN/A
BindingDB50019374
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
3693D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444

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