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Ligand

NameCHEMBL3326906
Molecular formulaC27H28N4O4
IUPAC name3-[3-[[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]carbamoyl]-5-methylindol-1-yl]propanoic acid
Molecular weight472.545
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.5
SynonymsBDBM50100262
Inchi KeySBQIGUYVKNQWRB-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H28N4O4/c1-4-5-25(32)22-15-28-31(18(22)3)20-9-7-19(8-10-20)29-27(35)23-16-30(13-12-26(33)34)24-11-6-17(2)14-21(23)24/h6-11,14-16H,4-5,12-13H2,1-3H3,(H,29,35)(H,33,34)
PubChem CID118711973
ChEMBLCHEMBL3326906
IUPHARN/A
BindingDB50100262
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
454012P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342
454013P2Y purinoceptor 12Q9EPX4P2ry12Rattus norvegicus (Rat)343

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