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Ligand

NameCHEMBL55629
Molecular formulaC22H27F3N4O3
IUPAC name5-methyl-3-[[1-[[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]methyl]cyclopropyl]methyl]-1H-pyrimidine-2,4-dione
Molecular weight452.478
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP2.9
SynonymsBDBM50220786
Inchi KeyALXPTLNJYZORDB-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H27F3N4O3/c1-16-12-26-20(31)29(19(16)30)14-21(6-7-21)13-27-8-10-28(11-9-27)17-4-2-3-5-18(17)32-15-22(23,24)25/h2-5,12H,6-11,13-15H2,1H3,(H,26,31)
PubChem CID44298746
ChEMBLCHEMBL55629
IUPHARN/A
BindingDB50220786
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
8643Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
8644Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
8641Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561
8642Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572

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