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Ligand

NameCHEMBL218447
Molecular formulaC37H48N2O7S
IUPAC name5-[[(E)-[(4-hexadecoxyphenyl)-phenylmethylidene]amino]sulfamoyl]benzene-1,3-dicarboxylic acid
Molecular weight664.858
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP11.2
Synonyms(E)-5-[1-(4-cetyloxyphenyl)-1-phenylmethylene]sulfohydrazonoisophthalic acid
BDBM50203765
Inchi KeyCIYSHCQALNQVBY-OBEQGSJMSA-N
Inchi IDInChI=1S/C37H48N2O7S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-25-46-33-23-21-30(22-24-33)35(29-19-16-15-17-20-29)38-39-47(44,45)34-27-31(36(40)41)26-32(28-34)37(42)43/h15-17,19-24,26-28,39H,2-14,18,25H2,1H3,(H,40,41)(H,42,43)/b38-35+
PubChem CID16105533
ChEMBLCHEMBL218447
IUPHARN/A
BindingDB50203765
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
43082Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
43083Sphingosine 1-phosphate receptor 2O95136S1PR2Homo sapiens (Human)353
43084Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378

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