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Ligand

NameCHEMBL3325650
Molecular formulaC33H40N6O3
IUPAC nameN-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-1-[2-[3-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-5-methylindole-3-carboxamide
Molecular weight568.722
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.3
SynonymsBDBM50055600
Inchi KeyMQQQMEUUNLSUHC-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H40N6O3/c1-6-8-31(40)28-18-34-39(23(28)3)25-13-11-24(12-14-25)35-33(42)29-20-38(30-15-10-22(2)17-27(29)30)21-32(41)37-16-7-9-26(19-37)36(4)5/h10-15,17-18,20,26H,6-9,16,19,21H2,1-5H3,(H,35,42)
PubChem CID118711088
ChEMBLCHEMBL3325650
IUPHARN/A
BindingDB50055600
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
450020P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342
450021P2Y purinoceptor 12Q9EPX4P2ry12Rattus norvegicus (Rat)343

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