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Ligand

NameCHEMBL500113
Molecular formulaC16H16O2
IUPAC name(3-methylphenyl)methyl 4-methylbenzoate
Molecular weight240.302
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP4.7
SynonymsZINC8372256
3-Methylbenzyl 4'-methylbenzoate
Inchi KeyWOXUDKAIACJQEU-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H16O2/c1-12-6-8-15(9-7-12)16(17)18-11-14-5-3-4-13(2)10-14/h3-10H,11H2,1-2H3
PubChem CID44586973
ChEMBLCHEMBL500113
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
378754Type-1A angiotensin II receptorP29754Agtr1aMus musculus (Mouse)359

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