Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D03BRM
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| Former ID |
DIB018916
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| Drug Name |
AUY954
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| Synonyms |
AUY 954
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL
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| Formula |
C25H20F3NO2S
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| Canonical SMILES |
C1=CC=C(C=C1)C2=C(C=C(C=C2)C3=CC4=C(S3)C=CC(=C4)CNCCC(=O)O)C(F)(F)F
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| InChI |
1S/C25H20F3NO2S/c26-25(27,28)21-13-18(7-8-20(21)17-4-2-1-3-5-17)23-14-19-12-16(6-9-22(19)32-23)15-29-11-10-24(30)31/h1-9,12-14,29H,10-11,15H2,(H,30,31)
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| InChIKey |
SKYYWSWIUKISCX-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Sphingosine-1-phosphate receptor 1 (S1PR1) | Target Info | Agonist | [2] |
| Sphingosine-1-phosphate receptor 2 (S1PR2) | Target Info | Agonist | [2] | |
| Sphingosine-1-phosphate receptor 3 (S1PR3) | Target Info | Agonist | [3] | |
| Sphingosine-1-phosphate receptor 4 (S1PR4) | Target Info | Agonist | [2] | |
| Sphingosine-1-phosphate receptor 5 (S1PR5) | Target Info | Agonist | [2] | |
| 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 | ||||
| S1P4 pathway | ||||
| S1P5 pathway | ||||
| S1P2 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 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2925). | |||
| REF 2 | A monoselective sphingosine-1-phosphate receptor-1 agonist prevents allograft rejection in a stringent rat heart transplantation model. Chem Biol. 2006 Nov;13(11):1227-34. | |||
| REF 3 | Synthesis and biological evaluation of gamma-aminophosphonates as potent, subtype-selective sphingosine 1-phosphate receptor agonists and antagonists. Bioorg Med Chem. 2007 Jan 15;15(2):663-77. | |||
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