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Ligand

NameCHEMBL3909223
Molecular formulaC26H25FN6O2
IUPAC name[(2R,5R)-5-[(2-fluoro-5-pyrimidin-2-ylphenyl)methyl]-2-methylmorpholin-4-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
Molecular weight472.524
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP3.9
SynonymsBDBM184109
SCHEMBL16766195
US9150566, 147
Inchi KeyAEIDDRZWBROWDG-WIYYLYMNSA-N
Inchi IDInChI=1S/C26H25FN6O2/c1-17-4-7-24(33-30-10-11-31-33)22(12-17)26(34)32-15-18(2)35-16-21(32)14-20-13-19(5-6-23(20)27)25-28-8-3-9-29-25/h3-13,18,21H,14-16H2,1-2H3/t18-,21-/m1/s1
PubChem CID118116741
ChEMBLCHEMBL3909223
IUPHARN/A
BindingDB184109
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
459255Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
459254Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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