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Ligand

NameBDBM50005504
Molecular formulaC22H35N5O4S2
IUPAC nameN-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-2-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylimino]-2-nitroethanamine
Molecular weight497.673
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP1.9
SynonymsN-((5-Ethylsulfanylmethyl-furan-2-ylmethyl)-dimethyl-amine)l-N-[1-(((5-Ethylsulfanylmethyl-furan-2-ylmethyl)-dimethyl-amine)amino)-2-nitrovinyl]amine
Inchi KeyJEBFKPNZVWPIMY-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H35N5O4S2/c1-25(2)14-18-5-7-20(30-18)16-32-11-9-23-13-22(27(28)29)24-10-12-33-17-21-8-6-19(31-21)15-26(3)4/h5-8,23H,9-17H2,1-4H3
PubChem CID91928727
ChEMBLN/A
IUPHARN/A
BindingDB50005504
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
148681Muscarinic acetylcholine receptor M1P12657Chrm1Mus musculus (Mouse)460
148682Muscarinic acetylcholine receptor M2Q9ERZ4Chrm2Mus musculus (Mouse)466

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