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Ligand

NameCHEMBL3902305
Molecular formulaC22H23N7O5
IUPAC nameN-[1-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]ethyl]pyrazol-4-yl]-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
Molecular weight465.47
Hydrogen bond acceptor10
Hydrogen bond donor2
XlogP2.3
SynonymsBDBM221359
US9303023, 55
Inchi KeyAGTYLUDFLBJZNF-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H23N7O5/c1-31-16-6-4-14(5-7-16)20-19(24-13-34-20)21(30)26-15-11-25-29(12-15)9-8-23-22-27-17(32-2)10-18(28-22)33-3/h4-7,10-13H,8-9H2,1-3H3,(H,26,30)(H,23,27,28)
PubChem CID60163154
ChEMBLCHEMBL3902305
IUPHARN/A
BindingDB221359
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
519721Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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