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Ligand

NameCHEMBL146989
Molecular formulaC21H28N2O2
IUPAC name(3aR,7aS)-2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
Molecular weight340.467
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.1
Synonyms2-[4-[3,4-Dihydroisoquinoline-2(1H)-yl]butyl]-3aalpha,4,5,6,7,7aalpha-hexahydroisoindoline-1,3-dione
(3aS,7aR)-2-[4-(3,4-Dihydro-1H-isoquinolin-2-yl)-butyl]-hexahydro-isoindole-1,3-dione
BDBM50083043
Inchi KeyACGHBLOHNBYBKB-KDURUIRLSA-N
Inchi IDInChI=1S/C21H28N2O2/c24-20-18-9-3-4-10-19(18)21(25)23(20)13-6-5-12-22-14-11-16-7-1-2-8-17(16)15-22/h1-2,7-8,18-19H,3-6,9-15H2/t18-,19+
PubChem CID10831039
ChEMBLCHEMBL146989
IUPHARN/A
BindingDB50083043
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
15415-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422

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