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Ligand

NameCHEMBL165035
Molecular formulaC33H41N3O3S
IUPAC name[4-[(3R)-3-methyl-4-[(1S)-1-[4-(3-methylphenyl)sulfonylphenyl]ethyl]piperazin-1-yl]piperidin-1-yl]-(2-methylphenyl)methanone
Molecular weight559.769
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP5.6
SynonymsBDBM50110547
[4-((R)-3-Methyl-4-{(S)-1-[4-(toluene-3-sulfonyl)-phenyl]-ethyl}-piperazin-1-yl)-piperidin-1-yl]-o-tolyl-methanone
2-Methylphenyl[4-[(3R)-3beta-methyl-4-[(1S)-1-[4-(3-methylphenylsulfonyl)phenyl]ethyl]piperazino]piperidino] ketone
Inchi KeyATQAKLGDHJQRTO-SXOMAYOGSA-N
Inchi IDInChI=1S/C33H41N3O3S/c1-24-8-7-10-31(22-24)40(38,39)30-14-12-28(13-15-30)27(4)36-21-20-35(23-26(36)3)29-16-18-34(19-17-29)33(37)32-11-6-5-9-25(32)2/h5-15,22,26-27,29H,16-21,23H2,1-4H3/t26-,27+/m1/s1
PubChem CID44378764
ChEMBLCHEMBL165035
IUPHARN/A
BindingDB50110547
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
14206Muscarinic acetylcholine receptor M2P08172CHRM2Homo sapiens (Human)466

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