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Ligand

NameSMR000072988
Molecular formulaC17H15ClN2O4
IUPAC name5-[(4-chloro-3-methylphenoxy)methyl]-N-(5-methyl-1,2-oxazol-3-yl)furan-2-carboxamide
Molecular weight346.767
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.8
Synonyms5-[(4-chloro-3-methylphenoxy)methyl]-N-(5-methyl-3-isoxazolyl)-2-furamide
AC1LHRE6
ChemDiv3_006129
Oprea1_592795
MLS000089230
[ Show all ]
Inchi KeyAAPGGKLFVOWVRS-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H15ClN2O4/c1-10-7-12(3-5-14(10)18)22-9-13-4-6-15(23-13)17(21)19-16-8-11(2)24-20-16/h3-8H,9H2,1-2H3,(H,19,20,21)
PubChem CID891889
ChEMBLCHEMBL1510847
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
423Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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