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Ligand

NameCHEMBL56375
Molecular formulaC20H26F4N4O5
IUPAC name(5R,6S)-3-[3-[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-5,6-dihydroxy-5-methyl-1,3-diazinane-2,4-dione
Molecular weight478.445
Hydrogen bond acceptor11
Hydrogen bond donor3
XlogP1.3
SynonymsSCHEMBL7836397
BDBM50220743
Ro-1104253
Inchi KeyCFECXSNWRXZHNR-QFBILLFUSA-N
Inchi IDInChI=1S/C20H26F4N4O5/c1-19(32)16(29)25-18(31)28(17(19)30)6-2-5-26-7-9-27(10-8-26)14-4-3-13(21)11-15(14)33-12-20(22,23)24/h3-4,11,16,29,32H,2,5-10,12H2,1H3,(H,25,31)/t16-,19+/m0/s1
PubChem CID44298780
ChEMBLCHEMBL56375
IUPHARN/A
BindingDB50220743
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
40565Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
40564Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
40566Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561
40567Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572

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