Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0S8CE
|
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| Former ID |
DNC013542
|
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| Drug Name |
XR-9577
|
||||
| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C34H30N4O2
|
||||
| Canonical SMILES |
C1CN(CC2=CC=CC=C21)CCC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4NC(=<br />O)C5=CC6=CC=CC=C6N=C5
|
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| InChI |
1S/C34H30N4O2/c39-33(28-21-26-8-3-5-11-31(26)35-22-28)37-32-12-6-4-10-30(32)34(40)36-29-15-13-24(14-16-29)17-19-38-20-18-25-7-1-2-9-27(25)23-38/h1-16,21-22H,17-20,23H2,(H,36,40)(H,37,39)
|
||||
| InChIKey |
JCKRZMGEVAGHHV-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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