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Ligand

NameSCHEMBL1650803
Molecular formulaC18H17BrN4O4
IUPAC name6-bromo-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
Molecular weight433.262
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.3
SynonymsUS9247759, 4-89
CHEMBL3953071
BDBM211053
Inchi KeyHINOVUVRMGZYFS-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H17BrN4O4/c1-10-14(11(2)27-22-10)9-23-8-12(7-20-23)21-18(24)13-5-16-17(6-15(13)19)26-4-3-25-16/h5-8H,3-4,9H2,1-2H3,(H,21,24)
PubChem CID57944992
ChEMBLCHEMBL3953071
IUPHARN/A
BindingDB211053
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
520179Taste receptor type 2 member 8Q9NYW2TAS2R8Homo sapiens (Human)309

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