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Ligand

NameSCHEMBL1671801
Molecular formulaC23H23FN6O
IUPAC name[(1R,6S)-8-(4,6-dimethylpyrimidin-2-yl)-3,8-diazabicyclo[4.2.0]octan-3-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone
Molecular weight418.476
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP2.9
SynonymsCHEMBL3670592
BDBM119628
US8680275, 185
Inchi KeyADBOZGRDDFIONY-LPHOPBHVSA-N
Inchi IDInChI=1S/C23H23FN6O/c1-14-11-15(2)28-23(27-14)30-12-16-7-10-29(13-19(16)30)22(31)17-5-3-6-18(24)20(17)21-25-8-4-9-26-21/h3-6,8-9,11,16,19H,7,10,12-13H2,1-2H3/t16-,19-/m0/s1
PubChem CID67116576
ChEMBLCHEMBL3670592
IUPHARN/A
BindingDB119628
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
2110Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
2111Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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