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Ligand

NameCHEMBL182269
Molecular formulaC24H25N3O3
IUPAC name1-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-3-(2-pyridin-3-ylphenyl)urea
Molecular weight403.482
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.3
Synonyms1-((4S,5S)-2,2-Dimethyl-4-phenyl-[1,3]dioxan-5-yl)-3-(2-pyridin-3-yl-phenyl)-urea
AJAHHNBMOVHVLZ-VXKWHMMOSA-N
SCHEMBL6344938
Inchi KeyAJAHHNBMOVHVLZ-VXKWHMMOSA-N
Inchi IDInChI=1S/C24H25N3O3/c1-24(2)29-16-21(22(30-24)17-9-4-3-5-10-17)27-23(28)26-20-13-7-6-12-19(20)18-11-8-14-25-15-18/h3-15,21-22H,16H2,1-2H3,(H2,26,27,28)/t21-,22-/m0/s1
PubChem CID44393285
ChEMBLCHEMBL182269
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
6696Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
6697Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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