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Ligand

NameCHEMBL3325625
Molecular formulaC27H28N4O4
IUPAC name2-[3-[[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]carbamoyl]-2,5-dimethylindol-1-yl]acetic acid
Molecular weight472.545
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.2
SynonymsBDBM50100270
Inchi KeyUUVDAWSNWMUOLR-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H28N4O4/c1-5-6-24(32)22-14-28-31(17(22)3)20-10-8-19(9-11-20)29-27(35)26-18(4)30(15-25(33)34)23-12-7-16(2)13-21(23)26/h7-14H,5-6,15H2,1-4H3,(H,29,35)(H,33,34)
PubChem CID118711064
ChEMBLCHEMBL3325625
IUPHARN/A
BindingDB50100270
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
455469P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342
455470P2Y purinoceptor 12Q9EPX4P2ry12Rattus norvegicus (Rat)343

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