Drug General Information
Drug ID
D09HIM
Former ID
DNC013541
Drug Name
XR-9504
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529220]
Structure
Download
2D MOL

3D MOL

Formula
C34H35N3O4
Canonical SMILES
CC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)CCN4C<br />CC5=CC(=C(C=C5C4)OC)OC
InChI
1S/C34H35N3O4/c1-23-8-12-25(13-9-23)33(38)36-30-7-5-4-6-29(30)34(39)35-28-14-10-24(11-15-28)16-18-37-19-17-26-20-31(40-2)32(41-3)21-27(26)22-37/h4-15,20-21H,16-19,22H2,1-3H3,(H,35,39)(H,36,38)
InChIKey
YKXTXQJFMGBJLD-UHFFFAOYSA-N
PubChem Compound ID
Target and Pathway
Target(s) Multidrug resistance-associated protein 1 Target Info Inhibitor [529220]
Multidrug resistance protein 1 Target Info Inhibitor [529220]
KEGG Pathway ABC transporters
Sphingolipid signaling pathway
Vitamin digestion and absorption
MicroRNAs in cancerhsa02010:ABC transporters
Bile secretion
MicroRNAs in cancer
NetPath Pathway IL6 Signaling PathwayNetPath_14:IL2 Signaling Pathway
TCR Signaling Pathway
Pathway Interaction Database S1P1 pathway
Sphingosine 1-phosphate (S1P) pathwayhif1_tfpathway:HIF-1-alpha transcription factor network
Reactome Cobalamin (Cbl, vitamin B12) transport and metabolism
ABC-family proteins mediated transportR-HSA-382556:ABC-family proteins mediated transport
WikiPathways Arachidonic acid metabolism
Irinotecan Pathway
Metabolism of water-soluble vitamins and cofactorsWP299: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
References
Ref 529220Bioorg 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.
Ref 529220Bioorg 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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