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Ligand

NameCHEMBL389842
Molecular formulaC19H23N5O3
IUPAC name7-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1,3-dimethyl-9H-purine-2,6,8-trione
Molecular weight369.425
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP0.6
Synonyms7-{3-[1,2,3,4-tetrahydroisoquinolin-2-yl]-propyl}-1,3-dimethyl-7,9-dihydro-3H-purine-2,6,8-trione
BDBM50213574
Inchi KeyBUYJPECXLSATLM-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H23N5O3/c1-21-16-15(17(25)22(2)19(21)27)24(18(26)20-16)10-5-9-23-11-8-13-6-3-4-7-14(13)12-23/h3-4,6-7H,5,8-12H2,1-2H3,(H,20,26)
PubChem CID44424671
ChEMBLCHEMBL389842
IUPHARN/A
BindingDB50213574
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
334495-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
334515-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
334505-hydroxytryptamine receptor 7P32305Htr7Rattus norvegicus (Rat)448

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