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Ligand

NameBefiradol
Molecular formulaC20H22ClF2N3O
IUPAC name(3-chloro-4-fluorophenyl)-[4-fluoro-4-[[(5-methylpyridin-2-yl)methylamino]methyl]piperidin-1-yl]methanone
Molecular weight393.863
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.2
Synonyms(3-Chloro-4-fluoro-phenyl)-(4-fluoro-4-{[(5-methyl-pyridin-2-ylmethyl)-amino]-methyl}-piperidin-1-yl)-methanone
BDBM50328639
F-13640
UNII-RAT9OHA1YH
110B649
[ Show all ]
Inchi KeyPKZXLMVXBZICTF-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H22ClF2N3O/c1-14-2-4-16(25-11-14)12-24-13-20(23)6-8-26(9-7-20)19(27)15-3-5-18(22)17(21)10-15/h2-5,10-11,24H,6-9,12-13H2,1H3
PubChem CID9865384
ChEMBLCHEMBL45305
IUPHAR3925
BindingDB50328639
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: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
2623835-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
2623855-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
2623845-hydroxytryptamine receptor 2AP50129HTR2ASus scrofa (Pig)470
262387D(1A) dopamine receptorP50130DRD1Sus scrofa (Pig)446
262386D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
262382D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
529048D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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