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Ligand

NameMLS001116776
Molecular formulaC23H27N3O5S
IUPAC name6-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]sulfonyl-4H-1,4-benzoxazin-3-one
Molecular weight457.545
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP1.9
SynonymsAKOS001935481
HMS2942J17
SMR000627472
7-({3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl}sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
MCULE-1254931741
[ Show all ]
Inchi KeyAFORHZFFBKXEFC-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H27N3O5S/c1-16-4-3-5-20(17(16)2)25-9-11-26(12-10-25)23(28)8-13-32(29,30)18-6-7-21-19(14-18)24-22(27)15-31-21/h3-7,14H,8-13,15H2,1-2H3,(H,24,27)
PubChem CID22551349
ChEMBLCHEMBL1462744
IUPHARN/A
BindingDBN/A
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4362Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
463417Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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