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Ligand

NameCHEMBL498661
Molecular formulaC16H16O2
IUPAC name(3-methylphenyl)methyl 2-methylbenzoate
Molecular weight240.302
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP4.6
Synonyms3-Methylbenzyl 2'-methylbenzoate
Inchi KeyXEKPWFXKVXSPHZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H16O2/c1-12-6-5-8-14(10-12)11-18-16(17)15-9-4-3-7-13(15)2/h3-10H,11H2,1-2H3
PubChem CID44587225
ChEMBLCHEMBL498661
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
389720Type-1A angiotensin II receptorP29754Agtr1aMus musculus (Mouse)359

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