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Ligand

NameCHEMBL506779
Molecular formulaC16H16O3
IUPAC name(3-methylphenyl)methyl 2-methoxybenzoate
Molecular weight256.301
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.9
SynonymsBenzoic acid, 2-methoxy-, (3-methylphenyl)methyl ester
TL80090625
3-Methylbenzyl 2'-methoxybenzoate
3-Methylbenzyl 2-methoxybenzoate
Inchi KeyXVFIGGCUVDQCRE-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H16O3/c1-12-6-5-7-13(10-12)11-19-16(17)14-8-3-4-9-15(14)18-2/h3-10H,11H2,1-2H3
PubChem CID44203165
ChEMBLCHEMBL506779
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
401770Type-1A angiotensin II receptorP29754Agtr1aMus musculus (Mouse)359

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