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Ligand

NameCHEMBL3325806
Molecular formulaC29H31ClN6O3
IUPAC name5-chloro-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-[4-(5-methyl-4-propanoylpyrazol-1-yl)phenyl]indole-3-carboxamide
Molecular weight547.056
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.4
SynonymsBDBM50100190
Inchi KeyORKAQHAYFDUVRI-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H31ClN6O3/c1-4-27(37)24-16-31-36(19(24)2)22-8-6-21(7-9-22)32-29(39)25-17-35(26-10-5-20(30)15-23(25)26)18-28(38)34-13-11-33(3)12-14-34/h5-10,15-17H,4,11-14,18H2,1-3H3,(H,32,39)
PubChem CID118711192
ChEMBLCHEMBL3325806
IUPHARN/A
BindingDB50100190
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
451498P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342
451499P2Y purinoceptor 12Q9EPX4P2ry12Rattus norvegicus (Rat)343

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