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Ligand

NameAC1OF52R
Molecular formulaC23H26O4
IUPAC name(9R)-9-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-3,3-dimethyl-4,9-dihydro-2H-xanthen-1-one
Molecular weight366.457
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.6
Synonyms(9R)-9-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-3,3-dimethyl-4,9-dihydro-2H-xanthen-1-one
ZINC97053543
Inchi KeyCCJIUBMPDVWYLU-LJQANCHMSA-N
Inchi IDInChI=1S/C23H26O4/c1-22(2)9-14(24)20(15(25)10-22)19-13-7-5-6-8-17(13)27-18-12-23(3,4)11-16(26)21(18)19/h5-8,19,24H,9-12H2,1-4H3/t19-/m1/s1
PubChem CID7068786
ChEMBLCHEMBL478417
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
38635Neuropeptide Y receptor type 5Q15761NPY5RHomo sapiens (Human)445

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