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Ligand

NameCHEMBL2443005
Molecular formulaC23H28FN5O2
IUPAC name1-[[1-[4-(3-fluoropropoxy)phenyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine
Molecular weight425.508
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP3.5
SynonymsBDBM50442751
Inchi KeyXUOARYPFOGJNNV-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H28FN5O2/c1-30-23-6-3-2-5-22(23)28-14-12-27(13-15-28)17-19-18-29(26-25-19)20-7-9-21(10-8-20)31-16-4-11-24/h2-3,5-10,18H,4,11-17H2,1H3
PubChem CID72545238
ChEMBLCHEMBL2443005
IUPHARN/A
BindingDB50442751
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: 5
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GLASS IDNameUniProtGeneSpeciesLength
401281Beta-1 adrenergic receptorQ28998ADRB1Sus scrofa (Pig)468
401280D(1A) dopamine receptorP50130DRD1Sus scrofa (Pig)446
401279D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
401282D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
532858D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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