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Ligand

NameCHEMBL3325896
Molecular formulaC31H32ClN7O3
IUPAC nameN-[4-(4-butanoyl-5-methylpyrazol-1-yl)-2-cyanophenyl]-5-chloro-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indole-3-carboxamide
Molecular weight586.093
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.1
SynonymsBDBM50100243
SCHEMBL13505452
Inchi KeyOVHXLZLNORTROC-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H32ClN7O3/c1-4-5-29(40)25-17-34-39(20(25)2)23-7-8-27(21(14-23)16-33)35-31(42)26-18-38(28-9-6-22(32)15-24(26)28)19-30(41)37-12-10-36(3)11-13-37/h6-9,14-15,17-18H,4-5,10-13,19H2,1-3H3,(H,35,42)
PubChem CID66576221
ChEMBLCHEMBL3325896
IUPHARN/A
BindingDB50100243
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
451610P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342
451611P2Y purinoceptor 12Q9EPX4P2ry12Rattus norvegicus (Rat)343

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