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Ligand

NamePD-135111
Molecular formulaC21H27N3S
IUPAC name1-pyridin-2-yl-4-[2-(4-thiophen-2-ylcyclohex-3-en-1-yl)ethyl]piperazine
Molecular weight353.528
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.3
SynonymsSCHEMBL9368439
BDBM50281611
D0H9GP
1-Pyridin-2-yl-4-[2-(4-thiophen-2-yl-cyclohex-3-enyl)-ethyl]-piperazine
CHEMBL346940
Inchi KeyAAFWZBAPCZZXNP-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H27N3S/c1-2-11-22-21(5-1)24-15-13-23(14-16-24)12-10-18-6-8-19(9-7-18)20-4-3-17-25-20/h1-5,8,11,17-18H,6-7,9-10,12-16H2
PubChem CID15079637
ChEMBLCHEMBL346940
IUPHARN/A
BindingDB50281611
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
181D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444

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