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Ligand

NameCHEMBL3325635
Molecular formulaC32H38N6O3
IUPAC nameN-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-methyl-1-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]indole-3-carboxamide
Molecular weight554.695
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.1
SynonymsBDBM50100112
Inchi KeyLQVZQNGIKHQFKD-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H38N6O3/c1-4-7-30(39)27-19-34-38(23(27)3)25-11-9-24(10-12-25)35-32(41)28-20-37(29-13-8-22(2)18-26(28)29)21-31(40)33-14-17-36-15-5-6-16-36/h8-13,18-20H,4-7,14-17,21H2,1-3H3,(H,33,40)(H,35,41)
PubChem CID118711073
ChEMBLCHEMBL3325635
IUPHARN/A
BindingDB50100112
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
449330P2Y purinoceptor 12Q9EPX4P2ry12Rattus norvegicus (Rat)343
449331P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342

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