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Ligand

NameCHEMBL389033
Molecular formulaC18H31N2O4P
IUPAC name[(3R)-3-amino-4-(3-octylanilino)-4-oxobutyl]phosphonic acid
Molecular weight370.43
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP0.5
Synonyms[(3R)-3-amino-4-[(3-octylphenyl)amino]-4-oxobutyl]phosphonic acid
GTPL2930
VPC-44116
[3-amino-3-(3-octylphenylcarbamoyl)propyl]-phosphonic acid
SCHEMBL12881976
[ Show all ]
Inchi KeyFMLHSOGKNHADEE-QGZVFWFLSA-N
Inchi IDInChI=1S/C18H31N2O4P/c1-2-3-4-5-6-7-9-15-10-8-11-16(14-15)20-18(21)17(19)12-13-25(22,23)24/h8,10-11,14,17H,2-7,9,12-13,19H2,1H3,(H,20,21)(H2,22,23,24)/t17-/m1/s1
PubChem CID11545181
ChEMBLCHEMBL389033
IUPHAR2930
BindingDB50198836
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
82001Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
444965Sphingosine 1-phosphate receptor 2O95136S1PR2Homo sapiens (Human)353
82003Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378
82002Sphingosine 1-phosphate receptor 4O95977S1PR4Homo sapiens (Human)384
82000Sphingosine 1-phosphate receptor 5Q9H228S1PR5Homo sapiens (Human)398

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