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Ligand

NameCHEMBL3930063
Molecular formulaC21H21F3N6
IUPAC name4,5-dimethyl-3-pyridin-4-yl-6-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyridazine
Molecular weight414.436
Hydrogen bond acceptor9
Hydrogen bond donor0
XlogP3.4
SynonymsSCHEMBL13490971
Inchi KeyDQAWVMXJLTWRDV-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H21F3N6/c1-14-15(2)20(28-27-19(14)16-5-7-25-8-6-16)30-11-9-29(10-12-30)18-4-3-17(13-26-18)21(22,23)24/h3-8,13H,9-12H2,1-2H3
PubChem CID59191586
ChEMBLCHEMBL3930063
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
537589Smoothened homologP56726SmoMus musculus (Mouse)793
537590Smoothened homologQ99835SMOHomo sapiens (Human)787

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