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Ligand

NameCHEMBL432972
Molecular formulaC18H20N4
IUPAC name1-pyridin-2-yl-4-(4-pyridin-3-ylbut-3-ynyl)piperazine
Molecular weight292.386
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP2.4
SynonymsBDBM50052527
SCHEMBL9044375
1-[4-(3-Pyridinyl)-3-butynyl]-4-(2-pyridinyl)piperazine
ZINC1533800
1-Pyridin-2-yl-4-(4-pyridin-3-yl-but-3-ynyl)-piperazine
Inchi KeyAFKFISMAIMRWCI-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H20N4/c1-3-10-20-18(8-1)22-14-12-21(13-15-22)11-4-2-6-17-7-5-9-19-16-17/h1,3,5,7-10,16H,4,11-15H2
PubChem CID10637409
ChEMBLCHEMBL432972
IUPHARN/A
BindingDB50052527
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
4236D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444

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