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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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Ligand

NameCHEMBL522241
Molecular formulaC26H21F3N6
IUPAC name6-[4-[4-[[4-(trifluoromethyl)phenyl]methyl]phthalazin-1-yl]piperazin-1-yl]pyridine-3-carbonitrile
Molecular weight474.491
Hydrogen bond acceptor9
Hydrogen bond donor0
XlogP5.0
Synonyms6-{4-[4-(4-Trifluoromethylbenzyl)phthalazin-1-yl]piperazin-1-yl}nicotinonitrile
BDBM50268547
SCHEMBL3604514
Inchi KeyHHXPOXSFJXKWIY-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H21F3N6/c27-26(28,29)20-8-5-18(6-9-20)15-23-21-3-1-2-4-22(21)25(33-32-23)35-13-11-34(12-14-35)24-10-7-19(16-30)17-31-24/h1-10,17H,11-15H2
PubChem CID25065893
ChEMBLCHEMBL522241
IUPHARN/A
BindingDB50268547
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
115373Smoothened homologP56726SmoMus musculus (Mouse)793
115374Smoothened homologQ99835SMOHomo sapiens (Human)787

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