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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

NameSCHEMBL3599336
Molecular formulaC25H25F3N2O
IUPAC name4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
Molecular weight426.483
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.8
SynonymsCHEMBL3596456
Inchi KeyZGGPGUNRCMKGJY-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H25F3N2O/c26-25(27,28)23-15-19(14-21(16-23)20-6-10-29-11-7-20)17-31-18-24(8-12-30-13-9-24)22-4-2-1-3-5-22/h1-7,10-11,14-16,30H,8-9,12-13,17-18H2
PubChem CID24785977
ChEMBLCHEMBL3596456
IUPHARN/A
BindingDB50108637
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
515636Substance-P receptorQ5DUB1TACR1Meriones unguiculatus (Mongolian jird)407
570581Substance-P receptorP14600Tacr1Rattus norvegicus (Rat)407

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