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Ligand

NameMLS000098536
Molecular formulaC22H23N3O4S
IUPAC name6-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide
Molecular weight425.503
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.7
SynonymsMCULE-5213220430
CHEBI:108166
REGID_for_CID_2998477
6-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-N-ethyl-N-phenyl-pyridine-3-sulfonamide
cid_2998477
[ Show all ]
Inchi KeyBAEWUJRANKALKZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H23N3O4S/c1-2-25(17-8-4-3-5-9-17)30(26,27)19-12-13-22(24-15-19)23-14-18-16-28-20-10-6-7-11-21(20)29-18/h3-13,15,18H,2,14,16H2,1H3,(H,23,24)
PubChem CID2998477
ChEMBLCHEMBL1422284
IUPHARN/A
BindingDB61410
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
18792G-protein coupled receptor 55Q9Y2T6GPR55Homo sapiens (Human)319
18791Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
18793Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371
18794Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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