Drug Information

Drug General Information
Drug ID
D0D5QS
Former ID
DNC005071
Drug Name
[3-(4-Nonyl-benzylamino)-propyl]-phosphonic acid
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527193]
Structure
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2D MOL

3D MOL
Formula
C19H34NO3P
Canonical SMILES
CCCCCCCCCC1=CC=C(C=C1)CNCCCP(=O)(O)O
InChI
1S/C19H34NO3P/c1-2-3-4-5-6-7-8-10-18-11-13-19(14-12-18)17-20-15-9-16-24(21,22)23/h11-14,20H,2-10,15-17H2,1H3,(H2,21,22,23)
InChIKey
IYOGKTIRIRHPOH-UHFFFAOYSA-N
PubChem Compound ID
11725751
Target and Pathway
Target(s) Sphingosine 1-phosphate receptor 1 Target Info Inhibitor [527193]
KEGG Pathway FoxO signaling pathway
Sphingolipid signaling pathway
Neuroactive ligand-receptor interaction
NetPath Pathway IL4 Signaling Pathway
TGF_beta_Receptor Signaling Pathway
IL2 Signaling Pathway
Pathway Interaction Database Fc-epsilon receptor I signaling in mast cells
S1P3 pathway
S1P1 pathway
Sphingosine 1-phosphate (S1P) pathway
PDGFR-beta signaling pathway
Reactome G alpha (i) signalling events
Lysosphingolipid and LPA receptors
WikiPathways Signal Transduction of S1P Receptor
Small Ligand GPCRs
GPCR ligand binding
GPCR downstream signaling
GPCRs, Other
References
Ref 527193Bioorg Med Chem Lett. 2004 Oct 4;14(19):4861-6.Design and synthesis of conformationally constrained 3-(N-alkylamino)propylphosphonic acids as potent agonists of sphingosine-1-phosphate (S1P) receptors.
Ref 527193Bioorg Med Chem Lett. 2004 Oct 4;14(19):4861-6.Design and synthesis of conformationally constrained 3-(N-alkylamino)propylphosphonic acids as potent agonists of sphingosine-1-phosphate (S1P) receptors.

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