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Ligand

NameCHEMBL134294
Molecular formulaC39H65N7O2
IUPAC name11-[5-[6-[8-[6-aminohexyl(methyl)amino]octyl-methylamino]hexylamino]pentanoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
Molecular weight663.996
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP4.9
Synonyms11-(1-Oxo-13,22-dimethyl-6,13,22,29-tetraazanonacosane-1-yl)-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepine-6-one
Inchi KeyACBSCMINIXTYQI-UHFFFAOYSA-N
Inchi IDInChI=1S/C39H65N7O2/c1-44(32-19-9-5-14-26-40)30-17-7-3-4-8-18-31-45(2)33-20-10-6-15-27-41-28-16-13-25-37(47)46-36-24-12-11-22-34(36)39(48)43-35-23-21-29-42-38(35)46/h11-12,21-24,29,41H,3-10,13-20,25-28,30-33,40H2,1-2H3,(H,43,48)
PubChem CID10532418
ChEMBLCHEMBL134294
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1413Muscarinic acetylcholine receptor M2P08172CHRM2Homo sapiens (Human)466

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