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Ligand

NameCHEMBL3585948
Molecular formulaC22H21ClN4O2
IUPAC name(1R,2S)-N-(5-chloropyridin-2-yl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-phenylcyclopropane-1-carboxamide
Molecular weight408.886
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.6
SynonymsBDBM50093815
SCHEMBL2118640
Inchi KeyALURJXGAMCOREI-PGRDOPGGSA-N
Inchi IDInChI=1S/C22H21ClN4O2/c1-14-19(12-24-15(2)26-14)29-13-22(16-6-4-3-5-7-16)10-18(22)21(28)27-20-9-8-17(23)11-25-20/h3-9,11-12,18H,10,13H2,1-2H3,(H,25,27,28)/t18-,22+/m0/s1
PubChem CID56944045
ChEMBLCHEMBL3585948
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
463909Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
463908Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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