Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0A4TF
|
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| Former ID |
DNC013543
|
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| Drug Name |
XR-9544
|
||||
| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C36H34N4O4
|
||||
| Canonical SMILES |
COC1=C(C=C2CN(CCC2=C1)CCC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4N<br />C(=O)C5=CC6=CC=CC=C6N=C5)OC
|
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| InChI |
1S/C36H34N4O4/c1-43-33-20-25-16-18-40(23-28(25)21-34(33)44-2)17-15-24-11-13-29(14-12-24)38-36(42)30-8-4-6-10-32(30)39-35(41)27-19-26-7-3-5-9-31(26)37-22-27/h3-14,19-22H,15-18,23H2,1-2H3,(H,38,42)(H,39,41)
|
||||
| InChIKey |
TZASTBIDWCFCGN-UHFFFAOYSA-N
|
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Multidrug resistance protein 1 | Target Info | Inhibitor | [1] | |
| Multidrug resistance-associated protein 1 | Target Info | Inhibitor | [1] | ||
| KEGG Pathway | ABC transporters | ||||
| Bile secretion | |||||
| MicroRNAs in cancerhsa02010:ABC transporters | |||||
| Sphingolipid signaling pathway | |||||
| Vitamin digestion and absorption | |||||
| MicroRNAs in cancer | |||||
| NetPath Pathway | IL2 Signaling Pathway | ||||
| TCR Signaling PathwayNetPath_18:IL6 Signaling Pathway | |||||
| Pathway Interaction Database | HIF-1-alpha transcription factor networks1p_s1p1_pathway:S1P1 pathway | ||||
| Sphingosine 1-phosphate (S1P) pathway | |||||
| Reactome | ABC-family proteins mediated transportR-HSA-196741:Cobalamin (Cbl, vitamin B12) transport and metabolism | ||||
| ABC-family proteins mediated transport | |||||
| WikiPathways | Nuclear Receptors in Lipid Metabolism and Toxicity | ||||
| Abacavir transport and metabolism | |||||
| Multi Drug Resistance Protein 1 (Glycoprotein 1) Regulation | |||||
| Integrated Pancreatic Cancer Pathway | |||||
| Allograft Rejection | |||||
| Drug Induction of Bile Acid Pathway | |||||
| Codeine and Morphine MetabolismWP2650:Arachidonic acid metabolism | |||||
| Irinotecan Pathway | |||||
| Metabolism of water-soluble vitamins and cofactors | |||||
| References | |||||
| REF 1 | Bioorg Med Chem. 2008 Mar 1;16(5):2448-62. Epub 2007 Nov 28.Functional assay and structure-activity relationships of new third-generation P-glycoprotein inhibitors. | ||||
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