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Ligand

NameCHEMBL21150
Molecular formulaC26H26ClN3OS
IUPAC name(3E)-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(thiophen-2-ylmethylidene)indol-2-one
Molecular weight464.024
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP5.4
SynonymsBDBM50099502
1-[3-[4-(3-Chlorophenyl)piperazino]propyl]-3-[(E)-(2-thienyl)methylene]indoline-2-one
1-{3-[4-(3-Chloro-phenyl)-piperazin-1-yl]-propyl}-3-[1-thiophen-2-yl-meth-(E)-ylidene]-1,3-dihydro-indol-2-one
Inchi KeyAFHGICYMZHHOKC-LYBHJNIJSA-N
Inchi IDInChI=1S/C26H26ClN3OS/c27-20-6-3-7-21(18-20)29-15-13-28(14-16-29)11-5-12-30-25-10-2-1-9-23(25)24(26(30)31)19-22-8-4-17-32-22/h1-4,6-10,17-19H,5,11-16H2/b24-19+
PubChem CID44273919
ChEMBLCHEMBL21150
IUPHARN/A
BindingDB50099502
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
41545-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
41555-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471

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