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Ligand

NameCHEMBL3325648
Molecular formulaC31H36N6O3
IUPAC name1-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-methylindole-3-carboxamide
Molecular weight540.668
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.3
SynonymsBDBM50055586
Inchi KeyFARXMEHYYWMCCY-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H36N6O3/c1-4-6-29(38)26-16-33-37(21(26)3)24-11-9-23(10-12-24)34-31(40)27-18-36(28-13-8-20(2)15-25(27)28)19-30(39)35-14-5-7-22(32)17-35/h8-13,15-16,18,22H,4-7,14,17,19,32H2,1-3H3,(H,34,40)
PubChem CID118711086
ChEMBLCHEMBL3325648
IUPHARN/A
BindingDB50055586
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
444627P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342
444628P2Y purinoceptor 12Q9EPX4P2ry12Rattus norvegicus (Rat)343

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