Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0A4TF
|
|||
| Former ID |
DNC013543
|
|||
| Drug Name |
XR-9544
|
|||
| Synonyms |
XR-9544; CHEMBL444075; SCHEMBL14290581; BDBM50375811
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | 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=C4NC(=O)C5=CC6=CC=CC=C6N=C5)OC
|
|||
| 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
|
|||
| 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. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.