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Ligand

NameBRN 5369860
Molecular formulaC26H36N6O6S2
IUPAC name1-N,3-N-bis[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4,6-dinitrobenzene-1,3-diamine
Molecular weight592.73
Hydrogen bond acceptor12
Hydrogen bond donor2
XlogP4.9
Synonyms1,3-Benzenediamine, N,N'-bis(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-
LS-29569
AC1MIKN6
N,N'-Bis[2-[[5-(dimethylaminomethyl)-2-furanyl]methylthio]ethyl]-4,6-dinitro-1,3-benzenediamine
1-N,3-N-bis[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-4,6-dinitrobenzene-1,3-diamine
[ Show all ]
Inchi KeyOVYGDFDMZNYEGZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H36N6O6S2/c1-29(2)15-19-5-7-21(37-19)17-39-11-9-27-23-13-24(26(32(35)36)14-25(23)31(33)34)28-10-12-40-18-22-8-6-20(38-22)16-30(3)4/h5-8,13-14,27-28H,9-12,15-18H2,1-4H3
PubChem CID3071771
ChEMBLCHEMBL13122
IUPHARN/A
BindingDB50005500
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
251624Muscarinic acetylcholine receptor M1P12657Chrm1Mus musculus (Mouse)460
251623Muscarinic acetylcholine receptor M2Q9ERZ4Chrm2Mus musculus (Mouse)466

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