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Ligand

NameCHEMBL326990
Molecular formulaC34H41N3O6S
IUPAC name[4-[4-[2-[4-(4-methoxyphenyl)sulfonylphenyl]-1,3-dioxolan-2-yl]piperidin-1-yl]piperidin-1-yl]-[2-(methylamino)phenyl]methanone
Molecular weight619.777
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP4.9
Synonyms(4-{2-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-[1,3]dioxolan-2-yl}-[1,4'']bipiperidinyl-1''-yl)-(2-methylamino-phenyl)-methanone
BDBM50121142
2-(Methylamino)phenyl[4-[4-[2-[4-(4-methoxyphenylsulfonyl)phenyl]-1,3-dioxolane-2-yl]piperidino]piperidino] ketone
Inchi KeyBXEUWKFFSRINDE-UHFFFAOYSA-N
Inchi IDInChI=1S/C34H41N3O6S/c1-35-32-6-4-3-5-31(32)33(38)37-21-17-27(18-22-37)36-19-15-26(16-20-36)34(42-23-24-43-34)25-7-11-29(12-8-25)44(39,40)30-13-9-28(41-2)10-14-30/h3-14,26-27,35H,15-24H2,1-2H3
PubChem CID20689406
ChEMBLCHEMBL326990
IUPHARN/A
BindingDB50121142
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
35019Muscarinic acetylcholine receptor M2P10980Chrm2Rattus norvegicus (Rat)466

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