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Ligand

NameCHEMBL3326907
Molecular formulaC26H26N4O4
IUPAC name2-[3-[[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]carbamoyl]-5-methylindol-1-yl]acetic acid
Molecular weight458.518
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.8
SynonymsBDBM50100263
SCHEMBL13519008
Inchi KeyIJVVLGMZFKWYHB-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H26N4O4/c1-4-5-24(31)21-13-27-30(17(21)3)19-9-7-18(8-10-19)28-26(34)22-14-29(15-25(32)33)23-11-6-16(2)12-20(22)23/h6-14H,4-5,15H2,1-3H3,(H,28,34)(H,32,33)
PubChem CID66575818
ChEMBLCHEMBL3326907
IUPHARN/A
BindingDB50100263
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
447015P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342
447016P2Y purinoceptor 12Q9EPX4P2ry12Rattus norvegicus (Rat)343

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