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Ligand

NameCHEMBL3325626
Molecular formulaC27H28N4O4
IUPAC name2-[3-[[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]carbamoyl]-4,5-dimethylindol-1-yl]acetic acid
Molecular weight472.545
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.1
SynonymsBDBM50100266
Inchi KeyBBSQELVBWDFXFL-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H28N4O4/c1-5-6-24(32)21-13-28-31(18(21)4)20-10-8-19(9-11-20)29-27(35)22-14-30(15-25(33)34)23-12-7-16(2)17(3)26(22)23/h7-14H,5-6,15H2,1-4H3,(H,29,35)(H,33,34)
PubChem CID118711065
ChEMBLCHEMBL3325626
IUPHARN/A
BindingDB50100266
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
442436P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342
442437P2Y purinoceptor 12Q9EPX4P2ry12Rattus norvegicus (Rat)343

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