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Ligand

NameMLS000559003
Molecular formulaC22H22N6O
IUPAC name1-(3-methoxypropyl)-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine
Molecular weight386.459
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.4
Synonyms1-(3-methoxypropyl)-3-(1-methyl-1H-benzimidazol-2-yl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine
SMR000149319
HMS2450M08
[1-(3-methoxypropyl)-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-yl]amine
AKOS005531669
[ Show all ]
Inchi KeyQXNGSBMMEOFHHP-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H22N6O/c1-27-17-11-6-5-10-16(17)26-21(27)18-19-22(28(20(18)23)12-7-13-29-2)25-15-9-4-3-8-14(15)24-19/h3-6,8-11H,7,12-13,23H2,1-2H3
PubChem CID4889526
ChEMBLCHEMBL1524932
IUPHARN/A
BindingDB52304
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: 8
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
2893225-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
289323Apelin receptorP35414APLNRHomo sapiens (Human)380
289318C-C chemokine receptor type 6P51684CCR6Homo sapiens (Human)374
289324C-X-C chemokine receptor type 5P32302CXCR5Homo sapiens (Human)372
289325Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
289320Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
289319Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
289321Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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