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Ligand

NameCHEMBL3950687
Molecular formulaC25H28F3N7O
IUPAC name5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide
Molecular weight499.542
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP3.9
SynonymsSCHEMBL13491110
Inchi KeyGHFWGFLLCDKFBE-MRXNPFEDSA-N
Inchi IDInChI=1S/C25H28F3N7O/c1-16-14-34(23-18(3)17(2)20(32-33-23)11-19-7-5-4-6-8-19)9-10-35(16)22-13-29-21(12-30-22)24(36)31-15-25(26,27)28/h4-8,12-13,16H,9-11,14-15H2,1-3H3,(H,31,36)/t16-/m1/s1
PubChem CID59191477
ChEMBLCHEMBL3950687
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
538379Smoothened homologP56726SmoMus musculus (Mouse)793
538380Smoothened homologQ99835SMOHomo sapiens (Human)787

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