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Ligand

NameN-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
Molecular formulaC18H19ClN6O3
IUPAC nameN-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide
Molecular weight402.839
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.1
SynonymsAK-968/15360406
ZINC647137
CHEMBL1466698
Oprea1_445869
MLS000582746
[ Show all ]
Inchi KeyAHEQDLPPFSSTAC-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H19ClN6O3/c1-11-17(13(3)23(21-11)9-14-7-5-4-6-8-14)20-15(26)10-24-12(2)16(19)18(22-24)25(27)28/h4-8H,9-10H2,1-3H3,(H,20,26)
PubChem CID993787
ChEMBLCHEMBL1466698
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
463543Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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