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Ligand

NameCHEMBL3325629
Molecular formulaC29H33N5O3
IUPAC nameN-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]-5,6-dimethylindole-3-carboxamide
Molecular weight499.615
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.1
SynonymsBDBM50100315
Inchi KeyVUMJXVLBMLBKSZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H33N5O3/c1-7-8-27(35)24-15-30-34(20(24)4)22-11-9-21(10-12-22)31-29(37)25-16-33(17-28(36)32(5)6)26-14-19(3)18(2)13-23(25)26/h9-16H,7-8,17H2,1-6H3,(H,31,37)
PubChem CID118711067
ChEMBLCHEMBL3325629
IUPHARN/A
BindingDB50100315
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 2
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GLASS IDNameUniProtGeneSpeciesLength
456129P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342
456130P2Y purinoceptor 12Q9EPX4P2ry12Rattus norvegicus (Rat)343

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