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Ligand

NameCHEMBL3596491
Molecular formulaC26H24F3N3O
IUPAC name5-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine-2-carbonitrile
Molecular weight451.493
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.9
SynonymsBDBM50106364
SCHEMBL3597391
Inchi KeyTUNPJDGJDUTKTB-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H24F3N3O/c27-26(28,29)23-13-19(12-21(14-23)20-6-7-24(15-30)32-16-20)17-33-18-25(8-10-31-11-9-25)22-4-2-1-3-5-22/h1-7,12-14,16,31H,8-11,17-18H2
PubChem CID24785712
ChEMBLCHEMBL3596491
IUPHARN/A
BindingDB50106364
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
503379Substance-P receptorQ5DUB1TACR1Meriones unguiculatus (Mongolian jird)407
567561Substance-P receptorP14600Tacr1Rattus norvegicus (Rat)407

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