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Ligand

NameCHEMBL3326908
Molecular formulaC27H28N4O4
IUPAC name2-[3-[[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-methylcarbamoyl]-5-methylindol-1-yl]acetic acid
Molecular weight472.545
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.0
SynonymsBDBM50100185
Inchi KeyFVCKAMNKMREJPW-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H28N4O4/c1-5-6-25(32)22-14-28-31(18(22)3)20-10-8-19(9-11-20)29(4)27(35)23-15-30(16-26(33)34)24-12-7-17(2)13-21(23)24/h7-15H,5-6,16H2,1-4H3,(H,33,34)
PubChem CID118711974
ChEMBLCHEMBL3326908
IUPHARN/A
BindingDB50100185
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
445216P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342
445217P2Y purinoceptor 12Q9EPX4P2ry12Rattus norvegicus (Rat)343

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