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Ligand

NameCHEMBL3883947
Molecular formulaC20H19NO4S
IUPAC name4-[[7-(1,3-benzodioxol-5-yl)-1-benzothiophen-2-yl]methylamino]butanoic acid
Molecular weight369.435
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP1.4
SynonymsBDBM50209059
Inchi KeyDZZJBUMZZFFKTR-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H19NO4S/c22-19(23)5-2-8-21-11-15-9-14-3-1-4-16(20(14)26-15)13-6-7-17-18(10-13)25-12-24-17/h1,3-4,6-7,9-10,21H,2,5,8,11-12H2,(H,22,23)
PubChem CID134131256
ChEMBLCHEMBL3883947
IUPHARN/A
BindingDB50209059
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
548741Sphingosine 1-phosphate receptor 4O95977S1PR4Homo sapiens (Human)384
548742Sphingosine 1-phosphate receptor 5Q9H228S1PR5Homo sapiens (Human)398

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