Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0S8CE
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| Former ID |
DNC013542
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| Drug Name |
XR-9577
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| Synonyms |
XR-9577; CHEMBL428402
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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 |
C34H30N4O2
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| Canonical SMILES |
C1CN(CC2=CC=CC=C21)CCC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4NC(=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)
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| InChIKey |
JCKRZMGEVAGHHV-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Multidrug resistance protein 1 (ABCB1) | Target Info | Inhibitor | [1] |
| Multidrug resistance-associated protein 1 (ABCC1) | Target Info | Inhibitor | [1] | |
| KEGG Pathway | ABC transporters | |||
| Bile secretion | ||||
| MicroRNAs in cancer | ||||
| Sphingolipid signaling pathway | ||||
| Vitamin digestion and absorption | ||||
| NetPath Pathway | IL2 Signaling Pathway | |||
| TCR Signaling Pathway | ||||
| IL6 Signaling Pathway | ||||
| Pathway Interaction Database | HIF-1-alpha transcription factor network | |||
| S1P1 pathway | ||||
| Sphingosine 1-phosphate (S1P) pathway | ||||
| Reactome | ABC-family proteins mediated transport | |||
| Cobalamin (Cbl, vitamin B12) transport and metabolism | ||||
| 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 Metabolism | ||||
| Arachidonic acid metabolism | ||||
| Irinotecan Pathway | ||||
| Metabolism of water-soluble vitamins and cofactors | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Functional assay and structure-activity relationships of new third-generation P-glycoprotein inhibitors. Bioorg Med Chem. 2008 Mar 1;16(5):2448-62. | |||
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