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Ligand

NameCHEMBL3325789
Molecular formulaC31H36N6O4
IUPAC nameN-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-methoxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indole-3-carboxamide
Molecular weight556.667
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.1
SynonymsSCHEMBL13506017
BDBM50055847
Inchi KeyOVKRIGAQMIPFNF-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H36N6O4/c1-5-6-29(38)26-18-32-37(21(26)2)23-9-7-22(8-10-23)33-31(40)27-19-36(28-12-11-24(41-4)17-25(27)28)20-30(39)35-15-13-34(3)14-16-35/h7-12,17-19H,5-6,13-16,20H2,1-4H3,(H,33,40)
PubChem CID66576377
ChEMBLCHEMBL3325789
IUPHARN/A
BindingDB50055847
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
451617P2Y purinoceptor 12Q9EPX4P2ry12Rattus norvegicus (Rat)343
451618P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342

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