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Ligand

NameAC1L1EMH
Molecular formulaC32H45N3O3
IUPAC name2-[4-methoxy-3-[[2-methoxy-3-[[2-methoxy-5-[2-(methylamino)ethyl]phenyl]methyl]-5-[2-(methylamino)ethyl]phenyl]methyl]phenyl]-N-methylethanamine
Molecular weight519.73
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP5.2
SynonymsSCHEMBL14270291
2-[4-methoxy-3,5-bis[[2-methoxy-5-(2-methylaminoethyl)phenyl]methyl]phenyl]-N-methylethanamine
2-[4-methoxy-3-[[2-methoxy-3-[[2-methoxy-5-[2-(methylamino)ethyl]phenyl]methyl]-5-[2-(methylamino)ethyl]phenyl]methyl]phenyl]-N-methylethanamine
GTPL5531
2,2'-[2-Methoxy-5-[2-(methylamino)ethyl]-1,3-phenylenebis[methylene(4-methoxy-3,1-phenylene)]]bis(N-methylethanamine)
Inchi KeyDXEVTBAWIGXNAW-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H45N3O3/c1-33-14-11-23-7-9-30(36-4)26(17-23)21-28-19-25(13-16-35-3)20-29(32(28)38-6)22-27-18-24(12-15-34-2)8-10-31(27)37-5/h7-10,17-20,33-35H,11-16,21-22H2,1-6H3
PubChem CID2855
ChEMBLN/A
IUPHAR5531
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
553624Mas-related G-protein coupled receptor member X2Q96LB1MRGPRX2Homo sapiens (Human)330

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