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Ligand

NameCHEMBL3685873
Molecular formulaC24H27N3O3
IUPAC name2-[3,5-dimethyl-1-[[4-[(2,4,6-trimethylbenzoyl)amino]phenyl]methyl]pyrazol-4-yl]acetic acid
Molecular weight405.498
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.0
SynonymsSCHEMBL10142435
BDBM127113
US8791272, 1.24
Inchi KeyAAZQVPXLACRSSH-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H27N3O3/c1-14-10-15(2)23(16(3)11-14)24(30)25-20-8-6-19(7-9-20)13-27-18(5)21(12-22(28)29)17(4)26-27/h6-11H,12-13H2,1-5H3,(H,25,30)(H,28,29)
PubChem CID58071807
ChEMBLCHEMBL3685873
IUPHARN/A
BindingDB127113
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
667Prostaglandin D2 receptor 2Q9Y5Y4PTGDR2Homo sapiens (Human)395

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