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Ligand

NameCHEMBL3728505
Molecular formulaC28H29F3N2
IUPAC name(3R)-2-benzhydryl-N-[[2-(trifluoromethyl)phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
Molecular weight450.549
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP6.3
SynonymsN/A
Inchi KeySJOKZBTYGQAZNH-AVJYQCBHSA-N
Inchi IDInChI=1S/C28H29F3N2/c29-28(30,31)24-14-8-7-13-23(24)19-32-26-22-15-17-33(18-16-22)27(26)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,22,25-27,32H,15-19H2/t26-,27?/m1/s1
PubChem CID46221498
ChEMBLCHEMBL3728505
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
530408Mas-related G-protein coupled receptor member X1Q8R4G1Mrgprx1Rattus norvegicus (Rat)323
530409Mas-related G-protein coupled receptor member X1Q96LB2MRGPRX1Homo sapiens (Human)322

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