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Ligand

NameCHEMBL3727438
Molecular formulaC29H31NO4
IUPAC name[(3S)-2-benzhydryl-1-azabicyclo[2.2.2]octan-3-yl] 3,4-dimethoxybenzoate
Molecular weight457.57
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP5.8
SynonymsN/A
Inchi KeyOZGNRFCBGBCSNJ-CPRJBALCSA-N
Inchi IDInChI=1S/C29H31NO4/c1-32-24-14-13-23(19-25(24)33-2)29(31)34-28-22-15-17-30(18-16-22)27(28)26(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-14,19,22,26-28H,15-18H2,1-2H3/t27?,28-/m0/s1
PubChem CID11676915
ChEMBLCHEMBL3727438
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
528783Mas-related G-protein coupled receptor member X1Q96LB2MRGPRX1Homo sapiens (Human)322
528784Mas-related G-protein coupled receptor member X1Q8R4G1Mrgprx1Rattus norvegicus (Rat)323

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