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Ligand

NameCHEMBL3325639
Molecular formulaC32H38N6O3
IUPAC nameN-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-methyl-1-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]indole-3-carboxamide
Molecular weight554.695
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.1
SynonymsBDBM50100182
Inchi KeyBNPMHIJZHNZZMT-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H38N6O3/c1-5-6-30(39)27-18-33-38(22(27)3)25-10-8-23(9-11-25)35-32(41)28-19-37(29-12-7-21(2)17-26(28)29)20-31(40)34-24-13-15-36(4)16-14-24/h7-12,17-19,24H,5-6,13-16,20H2,1-4H3,(H,34,40)(H,35,41)
PubChem CID118711077
ChEMBLCHEMBL3325639
IUPHARN/A
BindingDB50100182
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
442781P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342
442782P2Y purinoceptor 12Q9EPX4P2ry12Rattus norvegicus (Rat)343

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