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Ligand

NameCHEMBL3883572
Molecular formulaC24H23NO2S
IUPAC name5-[(4-naphthalen-2-yl-1-benzothiophen-2-yl)methylamino]pentanoic acid
Molecular weight389.513
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.2
SynonymsBDBM50209070
Inchi KeyDOOZBFNXMHQNIG-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H23NO2S/c26-24(27)10-3-4-13-25-16-20-15-22-21(8-5-9-23(22)28-20)19-12-11-17-6-1-2-7-18(17)14-19/h1-2,5-9,11-12,14-15,25H,3-4,10,13,16H2,(H,26,27)
PubChem CID134130884
ChEMBLCHEMBL3883572
IUPHARN/A
BindingDB50209070
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: 5
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GLASS IDNameUniProtGeneSpeciesLength
548660Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
548661Sphingosine 1-phosphate receptor 2O95136S1PR2Homo sapiens (Human)353
548664Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378
548663Sphingosine 1-phosphate receptor 4O95977S1PR4Homo sapiens (Human)384
548662Sphingosine 1-phosphate receptor 5Q9H228S1PR5Homo sapiens (Human)398

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