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Ligand

NameCHEMBL43209
Molecular formulaC27H27IN4O4
IUPAC name6-iodo-2-[2-[4-(2-methoxy-5-nitrophenyl)piperazin-1-yl]ethyl]-3-phenyl-3H-isoindol-1-one
Molecular weight598.441
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.7
Synonyms6-Iodo-2-{2-[4-(2-methoxy-5-nitro-phenyl)-piperazin-1-yl]-ethyl}-3-phenyl-2,3-dihydro-isoindol-1-one
2-[2-[4-(2-Methoxy-5-nitrophenyl)piperazin-1-yl]ethyl]-3-phenyl-6-iodoisoindolin-1-one
BDBM50062272
Inchi KeyAJADRZYCQRMFGP-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H27IN4O4/c1-36-25-10-8-21(32(34)35)18-24(25)30-14-11-29(12-15-30)13-16-31-26(19-5-3-2-4-6-19)22-9-7-20(28)17-23(22)27(31)33/h2-10,17-18,26H,11-16H2,1H3
PubChem CID10746118
ChEMBLCHEMBL43209
IUPHARN/A
BindingDB50062272
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
66935-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422

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