Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D04GYT
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| Former ID |
DNC013540
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| Drug Name |
XR-9456
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| Synonyms |
XR-9456; CHEMBL346292; SCHEMBL7170174; BDBM50375810
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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 |
C33H33N3O4
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| Canonical SMILES |
COC1=C(C=C2CN(CCC2=C1)CCC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4NC(=O)C5=CC=CC=C5)OC
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| InChI |
1S/C33H33N3O4/c1-39-30-20-25-17-19-36(22-26(25)21-31(30)40-2)18-16-23-12-14-27(15-13-23)34-33(38)28-10-6-7-11-29(28)35-32(37)24-8-4-3-5-9-24/h3-15,20-21H,16-19,22H2,1-2H3,(H,34,38)(H,35,37)
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| InChIKey |
AEXVPZYELNSRFS-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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