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Ligand

NameTriazoledione
Molecular formulaC23H28ClN5O3
IUPAC name1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-4-(2-phenoxyethyl)-1,2,4-triazolidine-3,5-dione
Molecular weight457.959
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.6
Synonyms1-[3-[4-(3-Chlorophenyl)-1-piperazinyl]propyl]-4-(2-phenoxyethyl)-1,2,4-triazolidine-3,5-dione
SCHEMBL3471063
UNII-3508097W2U
1,2,4-Triazolidine-3,5-dione, 1-(3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)-4-(2-phenoxyethyl)-
PDSP1_001802
[ Show all ]
Inchi KeyBTNXVMLCKOPOEP-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H28ClN5O3/c24-19-6-4-7-20(18-19)27-14-12-26(13-15-27)10-5-11-29-23(31)28(22(30)25-29)16-17-32-21-8-2-1-3-9-21/h1-4,6-9,18H,5,10-17H2,(H,25,30)
PubChem CID9804174
ChEMBLN/A
IUPHARN/A
BindingDB85197
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: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
324955-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
5556085-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
555609Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
32494Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
32497Histamine H1 receptorP31389HRH1Cavia porcellus (Guinea pig)488
32496Muscarinic acetylcholine receptor M2P10980Chrm2Rattus norvegicus (Rat)466

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