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Ligand

NameCHEMBL91283
Molecular formulaC38H66N2O7P2
IUPAC name[3-amino-2-hydroxy-5-(4-octylphenyl)pentyl]phosphonic acid;[(E)-3-amino-5-(4-octylphenyl)pent-1-enyl]phosphonic acid
Molecular weight724.901
Hydrogen bond acceptor9
Hydrogen bond donor7
XlogPNone
SynonymsN/A
Inchi KeyCPLKYWSCGUMTQY-ZICVVLIHSA-N
Inchi IDInChI=1S/C19H34NO4P.C19H32NO3P/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)13-14-18(20)19(21)15-25(22,23)24;1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20)15-16-24(21,22)23/h9-12,18-19,21H,2-8,13-15,20H2,1H3,(H2,22,23,24);9-12,15-16,19H,2-8,13-14,20H2,1H3,(H2,21,22,23)/b;16-15+
PubChem CID44341399
ChEMBLCHEMBL91283
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
47463Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
47464Sphingosine 1-phosphate receptor 2O95136S1PR2Homo sapiens (Human)353
47461Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378
47462Sphingosine 1-phosphate receptor 4O95977S1PR4Homo sapiens (Human)384

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