Detailed information for compound 279158

Basic information

Technical information
  • TDR Targets ID: 279158
  • Name: 6-chloro-2-(4-chlorophenyl)-3-methoxychromen- 4-one
  • MW: 321.155 | Formula: C16H10Cl2O3
  • H donors: 0 H acceptors: 1 LogP: 4.62 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1c(oc2c(c1=O)cc(cc2)Cl)c1ccc(cc1)Cl
  • InChi: 1S/C16H10Cl2O3/c1-20-16-14(19)12-8-11(18)6-7-13(12)21-15(16)9-2-4-10(17)5-3-9/h2-8H,1H3
  • InChiKey: CUZNJFMEMMCSQI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-chloro-2-(4-chlorophenyl)-3-methoxy-chromen-4-one
  • 6-chloro-2-(4-chlorophenyl)-3-methoxy-1-benzopyran-4-one
  • 6-chloro-2-(4-chlorophenyl)-3-methoxy-chromone
  • 6-chloro-2-(4-chlorophenyl)-3-methoxy-4-chromenone
  • ZINC05607483

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.003 0.0021 0.0025
Onchocerca volvulus 0.003 0.0021 0.0025
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.003 0.0021 0.0021
Brugia malayi Serotonin receptor 0.0519 0.1337 0.1337
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.003 0.0021 0.5
Echinococcus granulosus hypothetical protein 0.0768 0.2005 0.2382
Trypanosoma brucei C-8 sterol isomerase, putative 0.3741 1 0.5
Leishmania major C-8 sterol isomerase-like protein 0.3741 1 0.5
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.003 0.0021 0.0025
Echinococcus multilocularis serotonin transporter 0.0175 0.0412 0.049
Brugia malayi hypothetical protein 0.003 0.0021 0.0021
Schistosoma mansoni sodium-dependent amino acid transporter 0.003 0.0021 0.0025
Echinococcus granulosus nmda type glutamate receptor 0.0026 0.0012 0.0014
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.003 0.0021 0.0025
Loa Loa (eye worm) hypothetical protein 0.003 0.0021 0.0021
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0175 0.0412 0.049
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.003 0.0021 0.0025
Toxoplasma gondii hypothetical protein 0.003 0.0021 0.5
Loa Loa (eye worm) serotonin transporter b 0.0175 0.0412 0.0412
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.053 0.1367 0.1623
Echinococcus multilocularis conserved hypothetical protein 0.0746 0.1946 0.2312
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.003 0.0021 0.0021
Onchocerca volvulus 0.003 0.0021 0.0025
Loa Loa (eye worm) solute carrier family 6 member 4 0.0175 0.0412 0.0412
Echinococcus multilocularis nmda type glutamate receptor 0.0026 0.0012 0.0014
Loa Loa (eye worm) norepinephrine transporter 0.0175 0.0412 0.0412
Echinococcus multilocularis vesicular acetylcholine transporter 0.3153 0.8417 1
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.003 0.0021 0.0025
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0026 0.0012 0.0014
Loa Loa (eye worm) hypothetical protein 0.3741 1 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0021 0.0021
Schistosoma mansoni sodium/chloride dependent transporter 0.003 0.0021 0.0025
Echinococcus granulosus uncharacterized sodium dependent transporter 0.003 0.0021 0.0025
Echinococcus granulosus tm gpcr rhodopsin 0.053 0.1367 0.1623
Schistosoma mansoni vesicular acetylcholine transporter 0.3153 0.8417 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0021 0.0021
Echinococcus multilocularis sodium and chloride dependent glycine 0.003 0.0021 0.0025
Echinococcus granulosus sodium and chloride dependent glycine 0.003 0.0021 0.0025
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.003 0.0021 0.0025
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.003 0.0021 0.0025
Trypanosoma cruzi C-8 sterol isomerase, putative 0.3741 1 0.5
Brugia malayi vesicular acetylcholine transporter unc-17 0.3153 0.8417 0.8417
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.003 0.0021 0.0025
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0175 0.0412 0.0412
Plasmodium falciparum transporter, putative 0.003 0.0021 0.5
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.3153 0.8417 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.003 0.0021 0.0025
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.3153 0.8417 0.8417
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.003 0.0021 0.5
Plasmodium falciparum amino acid transporter, putative 0.003 0.0021 0.5
Onchocerca volvulus 0.0175 0.0412 0.049
Plasmodium vivax amine transporter, putative 0.003 0.0021 0.5
Plasmodium vivax hypothetical protein, conserved 0.003 0.0021 0.5
Echinococcus multilocularis sodium and chloride dependent glycine 0.003 0.0021 0.0025
Schistosoma mansoni sodium/chloride dependent transporter 0.003 0.0021 0.0025
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.003 0.0021 0.5
Loa Loa (eye worm) hypothetical protein 0.1822 0.4839 0.4839
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.003 0.0021 0.5
Onchocerca volvulus 0.003 0.0021 0.0025
Toxoplasma gondii hypothetical protein 0.003 0.0021 0.5
Echinococcus granulosus sodium and chloride dependent glycine 0.003 0.0021 0.0025
Brugia malayi Sodium:neurotransmitter symporter family protein 0.003 0.0021 0.0021
Loa Loa (eye worm) hypothetical protein 0.003 0.0021 0.0021
Echinococcus granulosus serotonin transporter 0.0175 0.0412 0.049
Loa Loa (eye worm) hypothetical protein 0.003 0.0021 0.0021
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.003 0.0021 0.0025
Brugia malayi Sodium:neurotransmitter symporter family protein 0.003 0.0021 0.0021
Loa Loa (eye worm) hypothetical protein 0.003 0.0021 0.0021
Loa Loa (eye worm) hypothetical protein 0.0175 0.0412 0.0412
Echinococcus granulosus uncharacterized sodium dependent transporter 0.003 0.0021 0.0025
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.003 0.0021 0.0025
Loa Loa (eye worm) hypothetical protein 0.003 0.0021 0.0021
Echinococcus granulosus vesicular acetylcholine transporter 0.3153 0.8417 1
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.003 0.0021 0.0025
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.003 0.0021 0.0021
Schistosoma mansoni sodium/chloride dependent transporter 0.0175 0.0412 0.049
Loa Loa (eye worm) hypothetical protein 0.0175 0.0412 0.0412
Loa Loa (eye worm) hypothetical protein 0.0175 0.0412 0.0412
Brugia malayi Sodium:neurotransmitter symporter family protein 0.003 0.0021 0.0021
Treponema pallidum sodium- and chloride- dependent transporter 0.0175 0.0412 0.5
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.003 0.0021 0.0025

Activities

Activity type Activity value Assay description Source Reference
CyD50 (ADMET) = 20 ug ml-1 Cytotoxic dose at which 50% growth of normal cells is inhibited ChEMBL. 1847431
ED99 (functional) 0 ug ml-1 Minimum drug concentration at which 99% of the polio virus is inhibited; NA= not active ChEMBL. 1847431
MNTD (functional) = 25 ug ml-1 Maximal non-toxic dose (MNTD) that shows antiviral activity. ChEMBL. 1847431
RF (functional) = 1 The ratio of the poliovirus viral titer of the virus control (reduction factor) to the viral titer in the presence of the maximal non-toxic dose (RF MNTD) ChEMBL. 1847431

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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