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Ligand

NameCHEMBL112244
Molecular formulaC36H59N7O2
IUPAC name11-[2-[6-[8-[6-aminohexyl(methyl)amino]octyl-methylamino]hexylamino]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
Molecular weight621.915
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP4.3
Synonyms11-(1-Oxo-10,19-dimethyl-3,10,19,26-tetraazahexacosane-1-yl)-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepine-6-one
BDBM50407222
Inchi KeyCVYMNORESIPOLC-UHFFFAOYSA-N
Inchi IDInChI=1S/C36H59N7O2/c1-41(28-17-9-5-13-23-37)26-15-7-3-4-8-16-27-42(2)29-18-10-6-14-24-38-30-34(44)43-33-22-12-11-20-31(33)36(45)40-32-21-19-25-39-35(32)43/h11-12,19-22,25,38H,3-10,13-18,23-24,26-30,37H2,1-2H3,(H,40,45)
PubChem CID14939893
ChEMBLCHEMBL112244
IUPHARN/A
BindingDB50407222
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
51899Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460
51897Muscarinic acetylcholine receptor M2P08172CHRM2Homo sapiens (Human)466
51900Muscarinic acetylcholine receptor M2P10980Chrm2Rattus norvegicus (Rat)466
51898Muscarinic acetylcholine receptor M3P08483Chrm3Rattus norvegicus (Rat)589
51901Muscarinic acetylcholine receptor M4P08485Chrm4Rattus norvegicus (Rat)478

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