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Ligand

NameMLS001105396
Molecular formulaC21H20FN3O3
IUPAC nameN-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-6-oxopyran-3-carboxamide
Molecular weight381.407
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.0
SynonymsCHEMBL1563590
HMS2979E17
SMR000664627
Inchi KeyACHYXOVKBZZARW-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H20FN3O3/c1-21(2)9-17(24-20(27)13-3-8-19(26)28-12-13)16-11-23-25(18(16)10-21)15-6-4-14(22)5-7-15/h3-8,11-12,17H,9-10H2,1-2H3,(H,24,27)
PubChem CID24793070
ChEMBLCHEMBL1563590
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
463145Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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