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Ligand

NameCHEMBL2402427
Molecular formulaC20H23N3O4S
IUPAC name1-[5-cyano-2-(4-methylphenoxy)phenyl]sulfonyl-3-pentylurea
Molecular weight401.481
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.9
SynonymsBDBM50436779
Inchi KeyAMTRTEPEPPVGBR-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H23N3O4S/c1-3-4-5-12-22-20(24)23-28(25,26)19-13-16(14-21)8-11-18(19)27-17-9-6-15(2)7-10-17/h6-11,13H,3-5,12H2,1-2H3,(H2,22,23,24)
PubChem CID71740185
ChEMBLCHEMBL2402427
IUPHARN/A
BindingDB50436779
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
9252Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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