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Ligand

NameBRN 5841077
Molecular formulaC23H34N6O6S
IUPAC name3-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-N-(3-morpholin-4-ylpropyl)-4,6-dinitrobenzene-1,3-diamine
Molecular weight522.621
Hydrogen bond acceptor11
Hydrogen bond donor2
XlogP3.8
Synonyms3-N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-1-N-(3-morpholin-4-ylpropyl)-4,6-dinitrobenzene-1,3-diamine
N-[2-(5-Dimethylaminomethyl-furan-2-ylmethylsulfanyl)-ethyl]-N''-(3-morpholin-4-yl-propyl)-4,6-dinitro-benzene-1,3-diamine
BDBM50004674
CHEMBL318517
N-[2-[[[5-[(Dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-2,4-dinitro-N'-(3-morpholinopropyl)benzene-1,5-diamine
[ Show all ]
Inchi KeyYCFVMRRJBBQZHF-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H34N6O6S/c1-26(2)16-18-4-5-19(35-18)17-36-13-7-25-21-14-20(22(28(30)31)15-23(21)29(32)33)24-6-3-8-27-9-11-34-12-10-27/h4-5,14-15,24-25H,3,6-13,16-17H2,1-2H3
PubChem CID3072508
ChEMBLCHEMBL318517
IUPHARN/A
BindingDB50004674
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
406504Muscarinic acetylcholine receptor M1P12657Chrm1Mus musculus (Mouse)460
406503Muscarinic acetylcholine receptor M2P10980Chrm2Rattus norvegicus (Rat)466

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