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Ligand

NameCHEMBL67769
Molecular formulaC17H21N3O4
IUPAC name4-O-(3,3-dimethylbutan-2-yl) 2-O-pyrimidin-4-yl 3-methyl-1H-pyrrole-2,4-dicarboxylate
Molecular weight331.372
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.4
Synonyms3-Methyl-1H-pyrrole-2,4-dicarboxylic acid 2-pyrimidin-4-yl ester 4-(1,2,2-trimethyl-propyl) ester
BDBM50129222
Inchi KeyAVBKZGOYYUTLTF-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H21N3O4/c1-10-12(15(21)23-11(2)17(3,4)5)8-19-14(10)16(22)24-13-6-7-18-9-20-13/h6-9,11,19H,1-5H3
PubChem CID44307128
ChEMBLCHEMBL67769
IUPHARN/A
BindingDB50129222
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
15158Metabotropic glutamate receptor 1P23385Grm1Rattus norvegicus (Rat)1199

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