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Ligand

NameSCHEMBL3200787
Molecular formulaC25H30N6
IUPAC name3-benzyl-4,5-dimethyl-6-[(3R)-3-methyl-4-(5-prop-1-en-2-ylpyrazin-2-yl)piperazin-1-yl]pyridazine
Molecular weight414.557
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.6
Synonyms(R)-4-(6-Benzyl-4,5-dimethyl-pyridazin-3-yl)-5'-isopropenyl-2-methyl-3,4,5,6-tetrahydro-2H-[1,2']bipyrazinyl
FMRQQVSLNRYWDK-GOSISDBHSA-N
CHEMBL3958192
Inchi KeyFMRQQVSLNRYWDK-GOSISDBHSA-N
Inchi IDInChI=1S/C25H30N6/c1-17(2)23-14-27-24(15-26-23)31-12-11-30(16-18(31)3)25-20(5)19(4)22(28-29-25)13-21-9-7-6-8-10-21/h6-10,14-15,18H,1,11-13,16H2,2-5H3/t18-/m1/s1
PubChem CID59191459
ChEMBLCHEMBL3958192
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
538028Smoothened homologP56726SmoMus musculus (Mouse)793
538029Smoothened homologQ99835SMOHomo sapiens (Human)787

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