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Ligand

NameCHEMBL245261
Molecular formulaC18H21N3O7S
IUPAC name1-tert-butyl-3-[2-(3-methoxyphenoxy)-5-nitrophenyl]sulfonylurea
Molecular weight423.44
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP2.8
SynonymsBDBM50218128
N-tert-butyl-N''-[2-(3-methoxyphenoxy)-5-nitrobenzenesulfonyl]urea
ZINC27646921
SCHEMBL16375985
SCHEMBL17437693
Inchi KeyAHBPOHBDSHUMKH-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H21N3O7S/c1-18(2,3)19-17(22)20-29(25,26)16-10-12(21(23)24)8-9-15(16)28-14-7-5-6-13(11-14)27-4/h5-11H,1-4H3,(H2,19,20,22)
PubChem CID16755884
ChEMBLCHEMBL245261
IUPHARN/A
BindingDB50218128
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
5412Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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