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Ligand

NameCHEMBL116777
Molecular formulaC34H40N2O6S
IUPAC name[4-[4-[2-[4-(4-methoxyphenyl)sulfonylphenyl]-1,3-dioxolan-2-yl]piperidin-1-yl]piperidin-1-yl]-(2-methylphenyl)methanone
Molecular weight604.762
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP4.8
Synonyms(4-{2-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-[1,3]dioxolan-2-yl}-[1,4'']bipiperidinyl-1''-yl)-o-tolyl-methanone
BDBM50121124
2-Methylphenyl[4-[4-[2-[4-(4-methoxyphenylsulfonyl)phenyl]-1,3-dioxolane-2-yl]piperidino]piperidino] ketone
Inchi KeyBQSUSBHVSCBKEG-UHFFFAOYSA-N
Inchi IDInChI=1S/C34H40N2O6S/c1-25-5-3-4-6-32(25)33(37)36-21-17-28(18-22-36)35-19-15-27(16-20-35)34(41-23-24-42-34)26-7-11-30(12-8-26)43(38,39)31-13-9-29(40-2)10-14-31/h3-14,27-28H,15-24H2,1-2H3
PubChem CID44343862
ChEMBLCHEMBL116777
IUPHARN/A
BindingDB50121124
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
30614Muscarinic acetylcholine receptor M2P10980Chrm2Rattus norvegicus (Rat)466

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