Drug General Information
Drug ID
D0H0EM
Former ID
DIB016839
Drug Name
Dofequidar fumarate
Synonyms
MS-209; Dofequidar fumarate < Prop INNM >; 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
Drug Type
Small molecular drug
Indication Cancer [ICD9: 140-229; ICD10:C00-C96] Discontinued in Phase 3 [533758]
Structure
Download
2D MOL

3D MOL

Formula
C30H31N3O3
Canonical SMILES
C1CN(CCN1CC(COC2=CC=CC3=C2C=CC=N3)O)C(=O)C(C4=CC=CC=C4)<br />C5=CC=CC=C5
InChI
1S/C30H31N3O3/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/h1-16,25,29,34H,17-22H2
InChIKey
KLWUUPVJTLHYIM-UHFFFAOYSA-N
CAS Number
CAS 129716-58-1
PubChem Compound ID
PubChem Substance ID
Target and Pathway
Target(s) Multidrug resistance protein 3 Target Info Modulator [533758]
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
Ref 533758Reversal of multidrug resistance by a novel quinoline derivative, MS-209. Cancer Chemother Pharmacol. 1995;35(4):271-7.
Ref 533758Reversal of multidrug resistance by a novel quinoline derivative, MS-209. Cancer Chemother Pharmacol. 1995;35(4):271-7.

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