Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0H0EM
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| Former ID |
DIB016839
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| Drug Name |
Dofequidar fumarate
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| Synonyms |
MS-209; Dofequidar fumarate; 1-(Diphenylacetyl)-4-[(2RS)-2-hydroxy-3-(5-quinolyloxy)propyl]piperazine sesquifumarate; 1-[4-(2,2-Diphenylacetyl)piperazin-1-yl]-3-(quinoliln-5-yloxy)-2-propanol sesquifumarate; 5-[3-[4-(2,2-Diphenylacetyl)piperazin-1-yl]-2-hydroxypropoxy]quinoline sesquifumarate
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| Drug Type |
Small molecular drug
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| Indication | Solid tumour/cancer [ICD-11: 2A00-2F9Z; ICD-10: C76-C80; ICD-9: 140-229] | Discontinued in Phase 3 | [1] | |
| Structure |
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Download2D MOL
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| Formula |
C34H35N3O7
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| Canonical SMILES |
C1CN(CCN1CC(COC2=CC=CC3=C2C=CC=N3)O)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5.C(=CC(=O)O)C(=O)O
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| InChI |
1S/C30H31N3O3.C4H4O4/c34-25(22-36-28-15-7-14-27-26(28)13-8-16-31-27)21-32-17-19-33(20-18-32)30(35)29(23-9-3-1-4-10-23)24-11-5-2-6-12-24;5-3(6)1-2-4(7)8/h1-16,25,29,34H,17-22H2;1-2H,(H,5,6)(H,7,8)/b;2-1+
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| InChIKey |
QIAVTDQTRFYXSD-WLHGVMLRSA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Multidrug resistance protein 3 (ABCB4) | Target Info | Modulator | [1] |
| KEGG Pathway | ABC transporters | |||
| Bile secretion | ||||
| Reactome | PPARA activates gene expression | |||
| ABC-family proteins mediated transport | ||||
| WikiPathways | Nuclear Receptors in Lipid Metabolism and Toxicity | |||
| Farnesoid X Receptor Pathway | ||||
| Regulation of Lipid Metabolism by Peroxisome proliferator-activated receptor alpha (PPARalpha) | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Reversal of multidrug resistance by a novel quinoline derivative, MS-209. Cancer Chemother Pharmacol. 1995;35(4):271-7. | |||
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