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Ligand

NameCHEMBL3955601
Molecular formulaC25H28N6
IUPAC name2-[1-(6-benzyl-4,5-dimethylpyridazin-3-yl)-4-methylpiperidin-4-yl]-1H-imidazo[4,5-b]pyridine
Molecular weight412.541
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.6
SynonymsSCHEMBL13491313
Inchi KeyACGRNOUTQGLSMF-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H28N6/c1-17-18(2)23(30-29-21(17)16-19-8-5-4-6-9-19)31-14-11-25(3,12-15-31)24-27-20-10-7-13-26-22(20)28-24/h4-10,13H,11-12,14-16H2,1-3H3,(H,26,27,28)
PubChem CID70918868
ChEMBLCHEMBL3955601
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
535952Smoothened homologP56726SmoMus musculus (Mouse)793
535953Smoothened homologQ99835SMOHomo sapiens (Human)787

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