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Ligand

NameBRN 5837136
Molecular formulaC16H22N6O5S
IUPAC nameN-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-5-hydrazinyl-2,4-dinitroaniline
Molecular weight410.449
Hydrogen bond acceptor10
Hydrogen bond donor3
XlogP3.0
Synonyms2-Furanmethanamine, N,N-dimethyl-5-(((2-((5-hydrazino-2,4-dinitrophenyl)amino)ethyl)thio)methyl)-
N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-5-hydrazinyl-2,4-dinitroaniline
BDBM50004652
CHEMBL321605
N-[2-[[[5-[(Dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-2,4-dinitro-N'-aminobenzene-1,5-diamine
[ Show all ]
Inchi KeyPJCKCTODZPQSKT-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H22N6O5S/c1-20(2)9-11-3-4-12(27-11)10-28-6-5-18-13-7-14(19-17)16(22(25)26)8-15(13)21(23)24/h3-4,7-8,18-19H,5-6,9-10,17H2,1-2H3
PubChem CID5747382
ChEMBLCHEMBL321605
IUPHARN/A
BindingDB50004652
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
261025Muscarinic acetylcholine receptor M1P12657Chrm1Mus musculus (Mouse)460
261023Muscarinic acetylcholine receptor M2P10980Chrm2Rattus norvegicus (Rat)466
261024Muscarinic acetylcholine receptor M2Q9ERZ4Chrm2Mus musculus (Mouse)466

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