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Ligand

NameCHEMBL3325656
Molecular formulaC33H38N6O3
IUPAC nameN-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-methyl-1-[2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-oxoethyl]indole-3-carboxamide
Molecular weight566.706
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.8
SynonymsBDBM50055657
Inchi KeyIAAHTPOTCBOKRX-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H38N6O3/c1-5-6-31(40)28-14-34-39(22(28)3)26-10-8-25(9-11-26)35-33(42)29-19-37(30-12-7-21(2)13-27(29)30)20-32(41)38-17-23-15-36(4)16-24(23)18-38/h7-14,19,23-24H,5-6,15-18,20H2,1-4H3,(H,35,42)
PubChem CID118711094
ChEMBLCHEMBL3325656
IUPHARN/A
BindingDB50055657
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
446744P2Y purinoceptor 12Q9EPX4P2ry12Rattus norvegicus (Rat)343
446745P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342

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