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Ligand

NameCHEMBL3894723
Molecular formulaC26H26N6O2
IUPAC name[(2R,5R)-2-methyl-5-[(3-pyrimidin-2-ylphenyl)methyl]morpholin-4-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
Molecular weight454.534
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.8
SynonymsSCHEMBL16767192
BDBM184071
US9150566, 109
Inchi KeyACKAOVNXPNOWIE-DENIHFKCSA-N
Inchi IDInChI=1S/C26H26N6O2/c1-18-7-8-24(32-29-11-12-30-32)23(13-18)26(33)31-16-19(2)34-17-22(31)15-20-5-3-6-21(14-20)25-27-9-4-10-28-25/h3-14,19,22H,15-17H2,1-2H3/t19-,22-/m1/s1
PubChem CID118117572
ChEMBLCHEMBL3894723
IUPHARN/A
BindingDB184071
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
459246Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
459245Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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