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Ligand

NameCHEMBL417954
Molecular formulaC19H21F5N4O3
IUPAC name5-fluoro-3-[3-[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione
Molecular weight448.394
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP2.7
SynonymsBDBM50220788
3-[3-[4-[2-(2,2,2-Trifluoroethoxy)-4-fluorophenyl]piperazino]propyl]-5-fluorouracil
Inchi KeyBVVTZMMHKZWLED-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H21F5N4O3/c20-13-2-3-15(16(10-13)31-12-19(22,23)24)27-8-6-26(7-9-27)4-1-5-28-17(29)14(21)11-25-18(28)30/h2-3,10-11H,1,4-9,12H2,(H,25,30)
PubChem CID44298650
ChEMBLCHEMBL417954
IUPHARN/A
BindingDB50220788
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
34114Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
34115Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
34116Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561
34117Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572

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