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Ligand

NameCHEMBL3922084
Molecular formulaC23H29N7O
IUPAC name2-[5-[(2R)-4-(4,5-dimethyl-6-pyridin-4-ylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol
Molecular weight419.533
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP1.6
SynonymsSCHEMBL13490986
Inchi KeyAXUJYWGLEYBMLN-OAHLLOKOSA-N
Inchi IDInChI=1S/C23H29N7O/c1-15-14-29(10-11-30(15)20-13-25-19(12-26-20)23(4,5)31)22-17(3)16(2)21(27-28-22)18-6-8-24-9-7-18/h6-9,12-13,15,31H,10-11,14H2,1-5H3/t15-/m1/s1
PubChem CID59191568
ChEMBLCHEMBL3922084
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
536424Smoothened homologP56726SmoMus musculus (Mouse)793
536425Smoothened homologQ99835SMOHomo sapiens (Human)787

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