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Ligand

NameCHEMBL3325658
Molecular formulaC34H42N6O3
IUPAC nameN-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-1-[2-(4-butylpiperazin-1-yl)-2-oxoethyl]-5-methylindole-3-carboxamide
Molecular weight582.749
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.8
SynonymsBDBM50055664
Inchi KeyNWJAOIZKZJJXKV-UHFFFAOYSA-N
Inchi IDInChI=1S/C34H42N6O3/c1-5-7-15-37-16-18-38(19-17-37)33(42)23-39-22-30(28-20-24(3)9-14-31(28)39)34(43)36-26-10-12-27(13-11-26)40-25(4)29(21-35-40)32(41)8-6-2/h9-14,20-22H,5-8,15-19,23H2,1-4H3,(H,36,43)
PubChem CID118711096
ChEMBLCHEMBL3325658
IUPHARN/A
BindingDB50055664
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
450869P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342
450870P2Y purinoceptor 12Q9EPX4P2ry12Rattus norvegicus (Rat)343

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