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Ligand

NameMLS000718003
Molecular formulaC18H20N4O2
IUPAC name3-methyl-N-[(E)-[4-[(4-methylpyridin-2-yl)amino]-4-oxobutan-2-ylidene]amino]benzamide
Molecular weight324.384
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.4
SynonymsSMR000279571
BAS 00410167
CHEMBL3195577
3-[(3-Methyl-benzoyl)-hydrazono]-N-(4-methyl-pyridin-2-yl)-butyramide
SR-01000325833
[ Show all ]
Inchi KeyABKVUTDWVSGKNK-KGENOOAVSA-N
Inchi IDInChI=1S/C18H20N4O2/c1-12-5-4-6-15(9-12)18(24)22-21-14(3)11-17(23)20-16-10-13(2)7-8-19-16/h4-10H,11H2,1-3H3,(H,22,24)(H,19,20,23)/b21-14+
PubChem CID9592176
ChEMBLCHEMBL3195577
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
463061Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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