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Ligand

NameBDBM50261952
Molecular formulaC23H25BrO4
IUPAC name2-(6-bromo-3,3-dimethyl-1-oxo-4,9-dihydro-2H-xanthen-9-yl)-5,5-dimethylcyclohexane-1,3-dione
Molecular weight445.353
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.1
Synonyms6-Bromo-9-(2-hydroxy-4,4-dimethyl-6-oxocyclohexyl)-3,3-dimethyl-2,3,4,9-tetrahydro-1H-xanthen-1-one
Inchi KeyANDZVEBUENPRDH-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H25BrO4/c1-22(2)8-14(25)20(15(26)9-22)19-13-6-5-12(24)7-17(13)28-18-11-23(3,4)10-16(27)21(18)19/h5-7,19-20H,8-11H2,1-4H3
PubChem CID91935412
ChEMBLN/A
IUPHARN/A
BindingDB50261952
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
9479Neuropeptide Y receptor type 5Q15761NPY5RHomo sapiens (Human)445

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