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Ligand

NameCHEMBL3325664
Molecular formulaC33H40N6O3
IUPAC nameN-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-methyl-1-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]indole-3-carboxamide
Molecular weight568.722
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.3
SynonymsBDBM50055820
Inchi KeyGQEOEKDVKQMUMJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H40N6O3/c1-6-7-31(40)28-19-34-39(24(28)5)26-11-9-25(10-12-26)35-33(42)29-20-38(30-13-8-23(4)18-27(29)30)21-32(41)37-16-14-36(15-17-37)22(2)3/h8-13,18-20,22H,6-7,14-17,21H2,1-5H3,(H,35,42)
PubChem CID118711101
ChEMBLCHEMBL3325664
IUPHARN/A
BindingDB50055820
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
445741P2Y purinoceptor 12Q9EPX4P2ry12Rattus norvegicus (Rat)343
445742P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342

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