Drug Information

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
213040
PubChem Substance ID
9371110, 14834817, 30417279, 57399655, 79374212, 103089815, 103149215, 103255332, 113453155, 117571425, 126458203, 128401201, 135187734, 142942851, 144230107, 179322825, 210275568, 210281216, 224988340, 228920540
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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