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Ligand

NameCHEMBL3325794
Molecular formulaC31H33N7O3
IUPAC nameN-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-cyano-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indole-3-carboxamide
Molecular weight551.651
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.9
SynonymsBDBM50055853
Inchi KeyONNHKXZUCHZGMJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H33N7O3/c1-4-5-29(39)26-18-33-38(21(26)2)24-9-7-23(8-10-24)34-31(41)27-19-37(28-11-6-22(17-32)16-25(27)28)20-30(40)36-14-12-35(3)13-15-36/h6-11,16,18-19H,4-5,12-15,20H2,1-3H3,(H,34,41)
PubChem CID118711183
ChEMBLCHEMBL3325794
IUPHARN/A
BindingDB50055853
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
451358P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342
451359P2Y purinoceptor 12Q9EPX4P2ry12Rattus norvegicus (Rat)343

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