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Ligand

NameCHEMBL3325638
Molecular formulaC31H38N6O3
IUPAC nameN-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-1-[2-[1-(dimethylamino)propan-2-ylamino]-2-oxoethyl]-5-methylindole-3-carboxamide
Molecular weight542.684
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.0
SynonymsBDBM50100111
Inchi KeyUMLQRYMRGSHDNV-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H38N6O3/c1-7-8-29(38)26-16-32-37(22(26)4)24-12-10-23(11-13-24)34-31(40)27-18-36(28-14-9-20(2)15-25(27)28)19-30(39)33-21(3)17-35(5)6/h9-16,18,21H,7-8,17,19H2,1-6H3,(H,33,39)(H,34,40)
PubChem CID118711076
ChEMBLCHEMBL3325638
IUPHARN/A
BindingDB50100111
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
455208P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342
455209P2Y purinoceptor 12Q9EPX4P2ry12Rattus norvegicus (Rat)343

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