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Ligand

NameCHEMBL3954046
Molecular formulaC21H21N7O2
IUPAC name5-(3-methylphenyl)-N-[1-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide
Molecular weight403.446
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP2.4
SynonymsUS9303023, 114
BDBM221417
Inchi KeyABCOETVKIYAMHI-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H21N7O2/c1-14-4-3-5-16(8-14)19-18(25-13-30-19)20(29)27-17-11-26-28(12-17)7-6-22-21-23-9-15(2)10-24-21/h3-5,8-13H,6-7H2,1-2H3,(H,27,29)(H,22,23,24)
PubChem CID126842429
ChEMBLCHEMBL3954046
IUPHARN/A
BindingDB221417
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
519705Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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