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Ligand

NameCHEMBL140142
Molecular formulaC26H40N6O6S2
IUPAC name3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[2-[2-[2-[2-[2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1,2,5-thiadiazole
Molecular weight596.762
Hydrogen bond acceptor14
Hydrogen bond donor0
XlogP1.0
SynonymsBDBM50107703
1-[4-(1-methyl-1,2,3,6-tetrahydro-5-pyridinyl)-1,2,5-thiadiazol-3-yloxy]-2-{2-[2-(2-{2-[4-(1-methyl-1,2,3,6-tetrahydro-5-pyridinyl)-1,2,5-thiadiazol-3-yloxy]ethoxy}ethoxy)ethoxy]ethoxy}ethane
Inchi KeyAAECWYRBNLAANF-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H40N6O6S2/c1-31-7-3-5-21(19-31)23-25(29-39-27-23)37-17-15-35-13-11-33-9-10-34-12-14-36-16-18-38-26-24(28-40-30-26)22-6-4-8-32(2)20-22/h5-6H,3-4,7-20H2,1-2H3
PubChem CID9960272
ChEMBLCHEMBL140142
IUPHARN/A
BindingDB50107703
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
131Muscarinic acetylcholine receptor M1P11229CHRM1Homo sapiens (Human)460

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