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Ligand

NameBRN 5838245
Molecular formulaC19H26N6O5S
IUPAC name1-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4,6-dinitro-3-N-(propan-2-ylideneamino)benzene-1,3-diamine
Molecular weight450.514
Hydrogen bond acceptor10
Hydrogen bond donor2
XlogP4.0
SynonymsCHEMBL106932
2-Propanone, (5-((2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)amino)-2,4-dinitrophenyl)hydrazone
N-[2-[[[5-[(Dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-2,4-dinitro-N'-[(1-methylethylidene)amino]benzene-1,5-diamine
1-N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-4,6-dinitro-3-N-(propan-2-ylideneamino)benzene-1,3-diamine
DTXSID30162160
[ Show all ]
Inchi KeyFXEKYXNHJDVDPK-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H26N6O5S/c1-13(2)21-22-17-9-16(18(24(26)27)10-19(17)25(28)29)20-7-8-31-12-15-6-5-14(30-15)11-23(3)4/h5-6,9-10,20,22H,7-8,11-12H2,1-4H3
PubChem CID3072512
ChEMBLCHEMBL106932
IUPHARN/A
BindingDBN/A
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
89524Muscarinic acetylcholine receptor M1P12657Chrm1Mus musculus (Mouse)460
89523Muscarinic acetylcholine receptor M2P10980Chrm2Rattus norvegicus (Rat)466

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