Drug Information

Drug General Information
Drug ID
D0LO4T
Former ID
DNC007294
Drug Name
1-(4-nonylbenzyl)pyrrolidin-3-ylphosphonic acid
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527349]
Structure
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2D MOL

3D MOL
Formula
C20H34NO3P
Canonical SMILES
CCCCCCCCCC1=CC=C(C=C1)CN2CCC(C2)P(=O)(O)O
InChI
1S/C20H34NO3P/c1-2-3-4-5-6-7-8-9-18-10-12-19(13-11-18)16-21-15-14-20(17-21)25(22,23)24/h10-13,20H,2-9,14-17H2,1H3,(H2,22,23,24)
InChIKey
PRUUCTGBHIGGOH-UHFFFAOYSA-N
PubChem Compound ID
10287034
Target and Pathway
Target(s) Sphingosine 1-phosphate receptor 1 Target Info Inhibitor [527349]
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 527349J Med Chem. 2004 Dec 30;47(27):6662-5.A rational utilization of high-throughput screening affords selective, orally bioavailable 1-benzyl-3-carboxyazetidine sphingosine-1-phosphate-1 receptor agonists.
Ref 527349J Med Chem. 2004 Dec 30;47(27):6662-5.A rational utilization of high-throughput screening affords selective, orally bioavailable 1-benzyl-3-carboxyazetidine sphingosine-1-phosphate-1 receptor agonists.

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