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Ligand

NameCHEMBL511555
Molecular formulaC18H20FN5O2
IUPAC name(2S)-2-amino-3-[4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]propanoic acid
Molecular weight357.389
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP-0.4
SynonymsBDBM50258462
(S)-2-Amino-3-[4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]propionic Acid
Inchi KeyCTKOQDQPYZTIFY-ZDUSSCGKSA-N
Inchi IDInChI=1S/C18H20FN5O2/c19-12-3-4-15-14(10-12)21-17(16-2-1-5-24(15)16)23-8-6-22(7-9-23)11-13(20)18(25)26/h1-5,10,13H,6-9,11,20H2,(H,25,26)/t13-/m0/s1
PubChem CID44157942
ChEMBLCHEMBL511555
IUPHARN/A
BindingDB50258462
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: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
501925-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
501905-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
501945-hydroxytryptamine receptor 4O70528HTR4Cavia porcellus (Guinea pig)388
50189Alpha-2A adrenergic receptorP22909Adra2aRattus norvegicus (Rat)450
50193D(1A) dopamine receptorP18901Drd1Rattus norvegicus (Rat)446
50191D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444

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