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Ligand

NameCHEMBL395079
Molecular formulaC18H21N3O6S
IUPAC name1-tert-butyl-3-[2-(3-methylphenoxy)-5-nitrophenyl]sulfonylurea
Molecular weight407.441
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.2
SynonymsBDBM50218130
N-tert-butyl-N''-[2-(3-methylphenoxy)-5-nitrobenzenesulfonyl]-urea
SCHEMBL17446913
Inchi KeyALLZPGRYVWREKO-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H21N3O6S/c1-12-6-5-7-14(10-12)27-15-9-8-13(21(23)24)11-16(15)28(25,26)20-17(22)19-18(2,3)4/h5-11H,1-4H3,(H2,19,20,22)
PubChem CID16757377
ChEMBLCHEMBL395079
IUPHARN/A
BindingDB50218130
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
8379Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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