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Ligand

NameCHEMBL3325646
Molecular formulaC31H36N6O3
IUPAC nameN-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-methyl-1-[2-[3-(methylamino)pyrrolidin-1-yl]-2-oxoethyl]indole-3-carboxamide
Molecular weight540.668
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.5
SynonymsBDBM50055584
Inchi KeyADOSOODASHKBNS-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H36N6O3/c1-5-6-29(38)26-16-33-37(21(26)3)24-10-8-22(9-11-24)34-31(40)27-18-36(28-12-7-20(2)15-25(27)28)19-30(39)35-14-13-23(17-35)32-4/h7-12,15-16,18,23,32H,5-6,13-14,17,19H2,1-4H3,(H,34,40)
PubChem CID118711084
ChEMBLCHEMBL3325646
IUPHARN/A
BindingDB50055584
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
441829P2Y purinoceptor 12Q9EPX4P2ry12Rattus norvegicus (Rat)343
441830P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342

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