Drug Information

Drug General Information
Drug ID
D0QQ1J
Former ID
DNC011355
Drug Name
BITHIONOL
Drug Type
Small molecular drug
Indication Trematode infection [ICD10:B66.9] Withdrawn from market [539482], [551871]
Structure
Download
2D MOL

3D MOL
Formula
C12H6Cl4O2S
InChI
InChI=1S/C12H6Cl4O2S/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18/h1-4,17-18H
InChIKey
JFIOVJDNOJYLKP-UHFFFAOYSA-N
CAS Number
CAS 97-18-7
PubChem Compound ID
2406
PubChem Substance ID
10168, 75233, 100332, 603045, 855531, 4908298, 7847867, 8149224, 8151613, 10538866, 11335814, 11361053, 11362922, 11365484, 11368046, 11371518, 11373833, 11376208, 11462025, 11483862, 11487929, 11490135, 11492072, 11493902, 11533319, 12054579, 15472383, 17389712, 24900609, 26751444, 29221571, 46508019, 47365181, 47440246, 47662279, 47959736, 48184990, 48414531, 48422207, 48424455, 49856124, 50100878, 56313666, 56404185, 56459051, 57321306, 57654715, 74382877, 78335568, 87576694
SuperDrug ATC ID
D10AB01; P02BX01
Target and Pathway
Target(s) Estrogen receptor Target Info Inhibitor [531262]
Calpain Target Info Inhibitor [531262]
Estrogen receptor beta Target Info Inhibitor [531262]
Induced myeloid leukemia cell differentiation protein Mcl-1 Target Info Inhibitor [531262]
KEGG Pathway Estrogen signaling pathway
Prolactin signaling pathway
Thyroid hormone signaling pathway
Endocrine and other factor-regulated calcium reabsorption
Proteoglycans in cancerhsa04141:Protein processing in endoplasmic reticulum
Apoptosis
Alzheimer's diseasehsa04915:Estrogen signaling pathway
Prolactin signaling pathwayhsa04151:PI3K-Akt signaling pathway
MicroRNAs in cancer
NetPath Pathway FSH Signaling Pathway
EGFR1 Signaling Pathway
RANKL Signaling PathwayNetPath_11:TCR Signaling Pathway
PANTHER Pathway Apoptosis signaling pathway
CCKR signaling map ST
Pathway Interaction Database Regulation of nuclear SMAD2/3 signaling
Signaling events mediated by HDAC Class II
Plasma membrane estrogen receptor signaling
LKB1 signaling events
Regulation of Telomerase
ATF-2 transcription factor network
AP-1 transcription factor network
FOXM1 transcription factor network
Validated nuclear estrogen receptor alpha network
Signaling mediated by p38-alpha and p38-beta
FOXA1 transcription factor networker_nongenomic_pathway:Plasma membrane estrogen receptor signaling
Validated nuclear estrogen receptor beta network
Validated nuclear estrogen receptor alpha networke2f_pathway:E2F transcription factor network
Direct p53 effectors
IL6-mediated signaling events
HIF-1-alpha transcription factor network
Reactome Nuclear signaling by ERBB4
Nuclear Receptor transcription pathwayR-HSA-1474228:Degradation of the extracellular matrixR-HSA-383280:Nuclear Receptor transcription pathway
WikiPathways Estrogen signaling pathway
Nuclear Receptors Meta-Pathway
Estrogen Receptor Pathway
Signaling by ERBB4
JAK/STAT
Integrated Pancreatic Cancer Pathway
Leptin signaling pathway
miR-targeted genes in muscle cell - TarBase
Integrated Breast Cancer Pathway
Nuclear ReceptorsWP306:Focal Adhesion
Alzheimers Disease
Integrin-mediated Cell AdhesionWP706:SIDS Susceptibility Pathways
Ovarian Infertility Genes
Nuclear ReceptorsWP254:Apoptosis
miR-targeted genes in lymphocytes - TarBase
miR-targeted genes in leukocytes - TarBase
Apoptosis Modulation and Signaling
References
Ref 539482(http://www.guidetopharmacology.org/) Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2338).
Ref 551871Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
Ref 531262Bioorg Med Chem Lett. 2010 Dec 15;20(24):7331-6. Epub 2010 Oct 21.In silico identification and biochemical evaluation of novel inhibitors of NRH:quinone oxidoreductase 2 (NQO2).

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