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Ligand

NameCID 44578448
Molecular formulaC19H27N7OS2
IUPAC name3-amino-6-ethyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylsulfanyl]-4a,7a-dihydrothieno[2,3-d]pyrimidin-4-one
Molecular weight433.593
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP1.7
SynonymsN/A
Inchi KeyABUGGQAKQLDEOZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H27N7OS2/c1-2-14-13-15-16(29-14)23-19(26(20)17(15)27)28-12-4-7-24-8-10-25(11-9-24)18-21-5-3-6-22-18/h3,5-6,13,15-16H,2,4,7-12,20H2,1H3
PubChem CID44578448
ChEMBLCHEMBL479243
IUPHARN/A
BindingDBN/A
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
11905-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422

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