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Ligand

NameCHEMBL3596490
Molecular formulaC26H24F3N3O
IUPAC name6-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
Molecular weight451.493
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.6
SynonymsBDBM50106363
SCHEMBL3592502
Inchi KeyKXYNWEKMOVPIGP-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H24F3N3O/c27-26(28,29)23-13-20(12-21(14-23)24-7-6-19(15-30)16-32-24)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 CID58993629
ChEMBLCHEMBL3596490
IUPHARN/A
BindingDB50106363
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
485325Substance-P receptorQ5DUB1TACR1Meriones unguiculatus (Mongolian jird)407
563015Substance-P receptorP14600Tacr1Rattus norvegicus (Rat)407

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