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Ligand

NameBRN 5840829
Molecular formulaC23H27N5O5S
IUPAC name1-N-benzyl-3-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4,6-dinitrobenzene-1,3-diamine
Molecular weight485.559
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP5.3
Synonyms1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-(phenylmethyl)-
LS-29598
AC1MILJ4
1-N-benzyl-3-N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-4,6-dinitrobenzene-1,3-diamine
N-Benzyl-N''-[2-(5-dimethylaminomethyl-furan-2-ylmethylsulfanyl)-ethyl]-4,6-dinitro-benzene-1,3-diamine
[ Show all ]
Inchi KeyZXWMHVSJDRFKHN-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H27N5O5S/c1-26(2)15-18-8-9-19(33-18)16-34-11-10-24-20-12-21(25-14-17-6-4-3-5-7-17)23(28(31)32)13-22(20)27(29)30/h3-9,12-13,24-25H,10-11,14-16H2,1-2H3
PubChem CID3072510
ChEMBLCHEMBL106936
IUPHARN/A
BindingDB50004670
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
440182Muscarinic acetylcholine receptor M1P12657Chrm1Mus musculus (Mouse)460
440183Muscarinic acetylcholine receptor M2P10980Chrm2Rattus norvegicus (Rat)466

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