Drug Details

General Information of the Drug (ID: DR5956)
Name
Dimethylaminoparthenolide
Synonyms
CHEMBL1270635
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Molecular Type
Small molecule
Disease Lung cancer [ICD-11: 2C25] Investigative [1]
Structure
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2D MOL

3D MOL

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Formula
C17H27NO3
PubChem CID
52945794
Canonical SMILES
CC1=CCCC2(C(O2)C3C(CC1)C(C(=O)O3)CN(C)C)C
InChI
1S/C17H27NO3/c1-11-6-5-9-17(2)15(21-17)14-12(8-7-11)13(10-18(3)4)16(19)20-14/h6,12-15H,5,7-10H2,1-4H3/t12-,13?,14-,15+,17+/m0/s1
InChIKey
UJNSFDHVIBGEJZ-CALVTZMJSA-N
Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally
    α. A List of Natural Product(s) Able to Enhance the Efficacy of This Drug
          Shikonin      Lithospermum erythrorhizon     Click to Show/Hide the Molecular Data of This NP
                 Achieving Therapeutic Synergy     Click to Show/Hide
                    Representative Experiment Reporting the Effect of This Combination [2]
                    Detail(s)  Combination Info  click to show the detail info of this combination
                    Biological
                    Regulation		 Alteration Cellular metabolism
                    In-vitro Model Kasumi-2 CVCL_0590 B acute lymphoblastic leukemia Homo sapiens
KOPN-8 CVCL_1866 B acute lymphoblastic leukemia Homo sapiens
NALM-6 CVCL_0092 Adult B acute lymphoblastic leukemia Homo sapiens
RCH-ACV CVCL_1851 B acute lymphoblastic leukemia Homo sapiens
Reh CVCL_1650 B acute lymphoblastic leukemia Homo sapiens
                    Experimental
                    Result(s)		 Combination of dimethylaminoparthenolide and shikonin alters metabolism and inhibits proliferation of pediatric precursor-B cell acute lymphoblastic leukemia.
Target and Pathway
Target(s) Trefoil factor-1 (TFF1)  Molecule Info  [3]
Panther Pathway CCKR signaling map ST Click to Show/Hide
Pathway Interaction Database Validated nuclear estrogen receptor alpha network Click to Show/Hide
2 FOXA1 transcription factor network
WikiPathways Integrated Pancreatic Cancer Pathway Click to Show/Hide
References
Reference 1 Dimethylaminoparthenolide, a water soluble parthenolide, suppresses lung tumorigenesis through down-regulating the STAT3 signaling pathway. Curr Cancer Drug Targets. 2014;14(1):59-69.
Reference 2 Identification of a synergistic combination of dimethylaminoparthenolide and shikonin alters metabolism and inhibits proliferation of pediatric precursor-B cell acute lymphoblastic leukemia. Mol Carcinog. 2020 Apr;59(4):399-411.
Reference 3 Deoxynivalenol Inhibits Porcine Intestinal Trefoil Factors Expression in Weanling Piglets and IPEC-J2 Cells. Toxins (Basel). 2019 Nov 15;11(11):670.
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