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Ligand

NameCHEMBL53675
Molecular formulaC21H26F4N4O3
IUPAC name5-ethyl-3-[3-[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione
Molecular weight458.458
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP3.2
SynonymsL015796
3-[3-[4-[2-(2,2,2-Trifluoroethoxy)-4-fluorophenyl]piperazino]propyl]-5-ethyluracil
SCHEMBL7832378
BDBM50220782
Inchi KeyAXOUSXBEKHBGLU-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H26F4N4O3/c1-2-15-13-26-20(31)29(19(15)30)7-3-6-27-8-10-28(11-9-27)17-5-4-16(22)12-18(17)32-14-21(23,24)25/h4-5,12-13H,2-3,6-11,14H2,1H3,(H,26,31)
PubChem CID9891937
ChEMBLCHEMBL53675
IUPHARN/A
BindingDB50220782
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
16924Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
16925Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
16922Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561
16923Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572

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