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Ligand

NameMLS000687475
Molecular formulaC20H13BrN2O2
IUPAC name5-bromo-2-[4-(pyridin-4-ylmethyl)phenyl]isoindole-1,3-dione
Molecular weight393.24
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP4.0
Synonyms306320-73-0
5-bromanyl-2-[4-(pyridin-4-ylmethyl)phenyl]isoindole-1,3-dione
5-Bromo-2-(4-pyridin-4-ylmethyl-phenyl)-isoindole-1,3-dione
5-bromo-2-[4-(4-pyridylmethyl)phenyl]-1H-isoindole-1,3(2H)-dione
5-bromo-2-[4-(4-pyridylmethyl)phenyl]benzo[c]azoline-1,3-dione
[ Show all ]
Inchi KeyAEVYLJIUBXCPPJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H13BrN2O2/c21-15-3-6-17-18(12-15)20(25)23(19(17)24)16-4-1-13(2-5-16)11-14-7-9-22-10-8-14/h1-10,12H,11H2
PubChem CID3094907
ChEMBLCHEMBL1404979
IUPHARN/A
BindingDBN/A
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
3898Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371
463354Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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