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Ligand

NameCHEMBL1796042
Molecular formulaC25H30N4O5
IUPAC name1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-(4-nitrophenyl)piperidine-2,6-dione
Molecular weight466.538
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP2.7
SynonymsBDBM50418761
Inchi KeyAJUJJQYPOFVICO-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H30N4O5/c1-34-23-6-3-2-5-22(23)27-15-13-26(14-16-27)11-4-12-28-24(30)17-20(18-25(28)31)19-7-9-21(10-8-19)29(32)33/h2-3,5-10,20H,4,11-18H2,1H3
PubChem CID53328508
ChEMBLCHEMBL1796042
IUPHARN/A
BindingDB50418761
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
7237Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
7236Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
7235Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572

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