Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0LO4T
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| Former ID |
DNC007294
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| Drug Name |
1-(4-nonylbenzyl)pyrrolidin-3-ylphosphonic acid
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| Synonyms |
CHEMBL184349; 570423-38-0; 1-(4-nonylbenzyl)pyrrolidin-3-ylphosphonic acid; SCHEMBL13937997; CTK1F3135; DTXSID10437782; PRUUCTGBHIGGOH-UHFFFAOYSA-N; BDBM50152329; [1-(4-Nonyl-benzyl)-pyrrolidin-3-yl]-phosphonic acid; (r/s)-1-(4-nonylbenzyl)-pyrrolidin-3-ylphosphonic acid; Phosphonic acid, [1-[(4-nonylphenyl)methyl]-3-pyrrolidinyl]-
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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 |
C20H34NO3P
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| Canonical SMILES |
CCCCCCCCCC1=CC=C(C=C1)CN2CCC(C2)P(=O)(O)O
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| 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)
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| InChIKey |
PRUUCTGBHIGGOH-UHFFFAOYSA-N
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| CAS Number |
CAS 570423-38-0
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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 | A rational utilization of high-throughput screening affords selective, orally bioavailable 1-benzyl-3-carboxyazetidine sphingosine-1-phosphate-1 re... J Med Chem. 2004 Dec 30;47(27):6662-5. | |||
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