Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D04GYT
|
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| Former ID |
DNC013540
|
||||
| Drug Name |
XR-9456
|
||||
| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Investigative | [529220] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C33H33N3O4
|
||||
| Canonical SMILES |
COC1=C(C=C2CN(CCC2=C1)CCC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4N<br />C(=O)C5=CC=CC=C5)OC
|
||||
| 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)
|
||||
| InChIKey |
AEXVPZYELNSRFS-UHFFFAOYSA-N
|
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Multidrug resistance protein 1 | Target Info | Inhibitor | [529220] | |
| Multidrug resistance-associated protein 1 | Target Info | Inhibitor | [529220] | ||
| Pathway Interaction Database | HIF-1-alpha transcription factor networks1p_s1p1_pathway:S1P1 pathway | ||||
| Sphingosine 1-phosphate (S1P) pathway | |||||
| 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 | |||||
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