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Ligand

NameSMR000016478
Molecular formulaC22H30N6O4
IUPAC name8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione
Molecular weight442.52
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP1.4
Synonyms3SR
8-((4-(furan-2-carbonyl)piperazin-1-yl)methyl)-7-isopentyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
8-[[4-(2-furoyl)piperazino]methyl]-7-isoamyl-1,3-dimethyl-xanthine
8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione
8-[[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione
[ Show all ]
Inchi KeyAGUUKKXWABRVBZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H30N6O4/c1-15(2)7-8-28-17(23-19-18(28)21(30)25(4)22(31)24(19)3)14-26-9-11-27(12-10-26)20(29)16-6-5-13-32-16/h5-6,13,15H,7-12,14H2,1-4H3
PubChem CID4894361
ChEMBLN/A
IUPHARN/A
BindingDB30972
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
52305-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422

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