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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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Ligand

NameCHEMBL122047
Molecular formulaC25H30ClFN4O2
IUPAC name1-[2-[2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl-methylamino]ethyl]-3-propan-2-ylimidazolidin-2-one
Molecular weight472.989
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.5
SynonymsSCHEMBL8112813
BDBM50053206
1-[2-({2-[6-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yloxy]-ethyl}-methyl-amino)-ethyl]-3-isopropyl-imidazolidin-2-one
Inchi KeyAAJVCKWMBZMPTO-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H30ClFN4O2/c1-18(2)30-13-12-29(25(30)32)11-10-28(3)14-15-33-24-17-31(21-7-5-20(27)6-8-21)23-16-19(26)4-9-22(23)24/h4-9,16-18H,10-15H2,1-3H3
PubChem CID10528455
ChEMBLCHEMBL122047
IUPHARN/A
BindingDB50053206
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: 3
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GLASS IDNameUniProtGeneSpeciesLength
2605-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
261Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
262D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444

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