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Ligand

NameCHEMBL560386
Molecular formulaC23H29NO5S
IUPAC name(2S,3S)-8-methoxy-3-methyl-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-2,3-dihydro-1,4lambda6-benzoxathiine 4,4-dioxide
Molecular weight431.547
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.7
Synonyms1-{3-[4-((2S,3S)-8-Methoxy-3-methyl-4,4-dioxo-3,4-dihydro-2H-4lambda*6*-benzo[1,4]oxathiin-2-yl)-phenoxy]-propyl}-pyrrolidine
BDBM50296171
SCHEMBL2100443
Inchi KeyCHCVZZOPCAVWNV-HTAPYJJXSA-N
Inchi IDInChI=1S/C23H29NO5S/c1-17-22(29-23-20(27-2)7-5-8-21(23)30(17,25)26)18-9-11-19(12-10-18)28-16-6-15-24-13-3-4-14-24/h5,7-12,17,22H,3-4,6,13-16H2,1-2H3/t17-,22+/m0/s1
PubChem CID44250288
ChEMBLCHEMBL560386
IUPHARN/A
BindingDB50296171
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
41861Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
41863Histamine H2 receptorP25021HRH2Homo sapiens (Human)359
41858Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445
41859Histamine H3 receptorQ9QYN8Hrh3Rattus norvegicus (Rat)445
41862Histamine H3 receptorP58406Hrh3Mus musculus (Mouse)445
41860Histamine H4 receptorQ9H3N8HRH4Homo sapiens (Human)390

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