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Ligand

NameCHEMBL3730500
Molecular formulaC29H28F3NO
IUPAC name(2E)-2-(2-benzhydryl-1-azabicyclo[2.2.2]octan-3-ylidene)-1-[3-(trifluoromethyl)phenyl]ethanol
Molecular weight463.544
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.9
SynonymsL008644
Inchi KeyIICYPFHJKGRIGE-NCELDCMTSA-N
Inchi IDInChI=1S/C29H28F3NO/c30-29(31,32)24-13-7-12-23(18-24)26(34)19-25-20-14-16-33(17-15-20)28(25)27(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-13,18-20,26-28,34H,14-17H2/b25-19+
PubChem CID11561740
ChEMBLCHEMBL3730500
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
525387Mas-related G-protein coupled receptor member X1Q8R4G1Mrgprx1Rattus norvegicus (Rat)323
525388Mas-related G-protein coupled receptor member X1Q96LB2MRGPRX1Homo sapiens (Human)322

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