Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0D5QS
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| Former ID |
DNC005071
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| Drug Name |
[3-(4-Nonyl-benzylamino)-propyl]-phosphonic acid
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| Synonyms |
CHEMBL118860; 569684-50-0; [3-(4-Nonyl-benzylamino)-propyl]-phosphonic acid; SCHEMBL3846202; CTK1E1410; DTXSID10471181; IYOGKTIRIRHPOH-UHFFFAOYSA-N; BDBM50148394; N-(4-Nonylbenzyl)-3-aminopropylphosphonic acid; Phosphonic acid, [3-[[(4-nonylphenyl)methyl]amino]propyl]-
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C19H34NO3P
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| Canonical SMILES |
CCCCCCCCCC1=CC=C(C=C1)CNCCCP(=O)(O)O
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| 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)
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| InChIKey |
IYOGKTIRIRHPOH-UHFFFAOYSA-N
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| CAS Number |
CAS 569684-50-0
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Sphingosine-1-phosphate receptor 1 (S1PR1) | Target Info | Inhibitor | [1] |
| 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 | Top | |||
|---|---|---|---|---|
| REF 1 | Design and synthesis of conformationally constrained 3-(N-alkylamino)propylphosphonic acids as potent agonists of sphingosine-1-phosphate (S1P) rec... Bioorg Med Chem Lett. 2004 Oct 4;14(19):4861-6. | |||
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