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Ligand

NameCHEMBL3731844
Molecular formulaC28H26F3NO2
IUPAC name[(3R)-2-benzhydryl-1-azabicyclo[2.2.2]octan-3-yl] 2-(trifluoromethyl)benzoate
Molecular weight465.516
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP6.8
SynonymsN/A
Inchi KeyXGHGTLYDFMBIEO-FXDYGKIASA-N
Inchi IDInChI=1S/C28H26F3NO2/c29-28(30,31)23-14-8-7-13-22(23)27(33)34-26-21-15-17-32(18-16-21)25(26)24(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,21,24-26H,15-18H2/t25?,26-/m1/s1
PubChem CID127036914
ChEMBLCHEMBL3731844
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
532547Mas-related G-protein coupled receptor member X1Q96LB2MRGPRX1Homo sapiens (Human)322
532548Mas-related G-protein coupled receptor member X1Q8R4G1Mrgprx1Rattus norvegicus (Rat)323

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