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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 ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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Ligand

NameCHEMBL137185
Molecular formulaC21H21ClN2OS
IUPAC name1-(1-benzothiophen-3-yl)-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
Molecular weight384.922
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP5.0
Synonyms1-(benzo[b]thiophen-3-yl)-3-(4-(4-chlorophenyl)piperazin-1-yl)propan-1-one
BDBM50102349
1-Benzo[b]thiophen-3-yl-3-[4-(4-chloro-phenyl)-piperazin-1-yl]-propan-1-one
Inchi KeyAEOGPKNAMFVZTP-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H21ClN2OS/c22-16-5-7-17(8-6-16)24-13-11-23(12-14-24)10-9-20(25)19-15-26-21-4-2-1-3-18(19)21/h1-8,15H,9-14H2
PubChem CID10407711
ChEMBLCHEMBL137185
IUPHARN/A
BindingDB50102349
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
36885-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
36895-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422

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