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Ligand

NameCHEMBL380274
Molecular formulaC18H21N3O5S2
IUPAC name1-tert-butyl-3-[2-(4-methylphenyl)sulfanyl-5-nitrophenyl]sulfonylurea
Molecular weight423.502
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.7
SynonymsN-tert-butyl-N''-[2-(4-methylphenylthio)-5-nitrobenzenesulfonyl]urea
BDBM50188623
Inchi KeyAJBWMHGSVUAWPG-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H21N3O5S2/c1-12-5-8-14(9-6-12)27-15-10-7-13(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 CID11633215
ChEMBLCHEMBL380274
IUPHARN/A
BindingDB50188623
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
6761Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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