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Ligand

NameMLS002473569
Molecular formulaC22H18N2O3S2
IUPAC name5-[2-[5-methoxy-2-(4-methylsulfonylphenyl)-1-benzothiophen-3-yl]ethynyl]-1-methylimidazole
Molecular weight422.517
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.0
SynonymsSMR001397736
CHEMBL1707272
BDBM88491
cid_44202221
HMS2200F15
[ Show all ]
Inchi KeyAAHMFTBCVJDHBJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H18N2O3S2/c1-24-14-23-13-16(24)6-10-19-20-12-17(27-2)7-11-21(20)28-22(19)15-4-8-18(9-5-15)29(3,25)26/h4-5,7-9,11-14H,1-3H3
PubChem CID44202221
ChEMBLCHEMBL1707272
IUPHARN/A
BindingDB88491
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: 2
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GLASS IDNameUniProtGeneSpeciesLength
207Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
206Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332

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