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Ligand

NameMLS000537437
Molecular formulaC25H19BrF3N3O2S
IUPAC name2-[5-[2-(4-bromophenyl)-2-oxoethyl]-3-cyano-4,6-dimethylpyridin-2-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
Molecular weight562.405
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP5.9
Synonyms2-({5-[2-(4-bromophenyl)-2-oxoethyl]-3-cyano-4,6-dimethyl-2-pyridinyl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CHEMBL1540366
SMR000161057
ZINC8416421
Inchi KeyADLUAFINTBULOC-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H19BrF3N3O2S/c1-14-18(11-22(33)16-7-9-17(26)10-8-16)15(2)31-24(19(14)12-30)35-13-23(34)32-21-6-4-3-5-20(21)25(27,28)29/h3-10H,11,13H2,1-2H3,(H,32,34)
PubChem CID9525184
ChEMBLCHEMBL1540366
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
2400Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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