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Ligand

NameCHEMBL495608
Molecular formulaC26H21N7
IUPAC name6-[4-[4-[(4-cyanophenyl)methyl]phthalazin-1-yl]piperazin-1-yl]pyridine-3-carbonitrile
Molecular weight431.503
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP3.8
SynonymsBDBM50268495
SCHEMBL3598111
6-{4-[4-(4-Cyanobenzyl)phthalazin-1-yl]piperazin-1-yl}nicotinonitrile
Inchi KeyFEGUPQZONWIBEH-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H21N7/c27-16-20-7-5-19(6-8-20)15-24-22-3-1-2-4-23(22)26(31-30-24)33-13-11-32(12-14-33)25-10-9-21(17-28)18-29-25/h1-10,18H,11-15H2
PubChem CID25065678
ChEMBLCHEMBL495608
IUPHARN/A
BindingDB50268495
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
76213Smoothened homologP56726SmoMus musculus (Mouse)793
76214Smoothened homologQ99835SMOHomo sapiens (Human)787

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