Detailed information for compound 1826486

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 346.752 | Formula: C15H10ClF3O2S
  • H donors: 0 H acceptors: 2 LogP: 4.66 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)S(=O)(=O)/C=C/c1cccc(c1)C(F)(F)F
  • InChi: 1S/C15H10ClF3O2S/c16-13-4-6-14(7-5-13)22(20,21)9-8-11-2-1-3-12(10-11)15(17,18)19/h1-10H/b9-8+
  • InChiKey: HQXYLYAXLFTMLM-CMDGGOBGSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

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
Trypanosoma cruzi heat shock protein, putative 0.0135 0.6456 0.5285
Trichomonas vaginalis heat shock protein, putative 0.0155 0.8213 0.7876
Leishmania major heat shock protein, putative 0.0135 0.6456 0.5224
Mycobacterium ulcerans heat shock protein 90 0.0155 0.8213 1
Trypanosoma cruzi heat shock protein 90, putative 0.0174 1 1
Trypanosoma brucei heat shock protein, putative 0.0174 1 1
Leishmania major heat shock protein 83-1 0.0174 1 1
Schistosoma mansoni heat shock protein 0.0174 1 1
Leishmania major heat shock protein 83-1 0.0174 1 1
Echinococcus multilocularis heat shock protein 90 0.0174 1 1
Leishmania major heat shock protein 83-1 0.0174 1 1
Leishmania major heat shock protein 83-1 0.0174 1 1
Trypanosoma brucei heat shock protein, putative 0.0174 1 1
Echinococcus granulosus heat shock protein 0.0174 1 1
Trypanosoma brucei heat shock protein, putative 0.0174 1 1
Schistosoma mansoni heat shock protein 0.0135 0.6456 0.6456
Loa Loa (eye worm) FAD binding domain-containing protein 0.0105 0.3673 0.3673
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0105 0.3673 0.3673
Trypanosoma cruzi heat shock protein 90, putative 0.0147 0.7502 0.6676
Treponema pallidum heat shock protein 90 0.0155 0.8213 0.5
Leishmania major heat shock protein 83-1 0.0174 1 1
Giardia lamblia Grp94/Hsp90 0.0155 0.8213 0.7592
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0147 0.7502 0.7502
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.0135 0.6456 0.6456
Schistosoma mansoni endoplasmin 0.0174 1 1
Toxoplasma gondii heat shock protein 90, putative 0.0174 1 1
Echinococcus multilocularis heat shock protein 90 0.0147 0.7502 0.7502
Leishmania major heat shock protein 83-1 0.0174 1 1
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.0093 0.2581 0.1182
Entamoeba histolytica heat shock protein 90, putative 0.0174 1 1
Plasmodium falciparum heat shock protein 90, putative 0.0128 0.5745 0.4476
Trypanosoma brucei heat shock protein 90, putative 0.0174 1 1
Trypanosoma cruzi heat shock protein 85, putative 0.0174 1 1
Trypanosoma cruzi heat shock protein 85, putative 0.0174 1 1
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0155 0.8213 0.7592
Schistosoma mansoni endoplasmin 0.0174 1 1
Leishmania major heat shock protein 83-1 0.0174 1 1
Echinococcus granulosus endoplasmin 0.0155 0.8213 0.8213
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0105 0.3673 0.3673
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.0135 0.6456 0.5
Trichomonas vaginalis heat shock protein, putative 0.0109 0.4084 0.2969
Leishmania major heat shock protein 83-1 0.0174 1 1
Plasmodium vivax heat shock protein 86, putative 0.0174 1 1
Echinococcus granulosus heat shock protein 90 0.0174 1 1
Echinococcus multilocularis endoplasmin 0.0155 0.8213 0.8213
Entamoeba histolytica heat shock protein 90, putative 0.0174 1 1
Trypanosoma brucei heat shock protein, putative 0.0174 1 1
Brugia malayi heat shock protein 90 0.0174 1 1
Giardia lamblia Heat shock protein HSP 90-alpha 0.0174 1 1
Plasmodium vivax flavodoxin domain containing protein 0.0093 0.2581 0.0368
Trypanosoma brucei heat shock protein 84, putative 0.0135 0.6456 0.44
Loa Loa (eye worm) heat shock protein 90 0.0174 1 1
Trypanosoma brucei heat shock protein, putative 0.0174 1 1
Plasmodium vivax heat shock protein 90, putative 0.0135 0.6456 0.5399
Trypanosoma brucei Heat shock protein 83, putative 0.0174 1 1
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0105 0.3673 0.3673
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0105 0.3673 0.3673
Leishmania major heat shock protein 83-1 0.0174 1 1
Brugia malayi flavodoxin family protein 0.0105 0.3673 0.3673
Trypanosoma cruzi heat shock protein 85, putative 0.0147 0.7502 0.6676
Trypanosoma brucei heat shock protein, putative 0.0174 1 1
Schistosoma mansoni cytochrome P450 reductase 0.0105 0.3673 0.3673
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0105 0.3673 0.158
Trichomonas vaginalis heat shock protein, putative 0.0155 0.8213 0.7876
Trypanosoma cruzi heat shock protein 85, putative 0.0174 1 1
Trichomonas vaginalis sulfite reductase, putative 0.0105 0.3673 0.2479
Leishmania major heat shock protein 83-1 0.0174 1 1
Brugia malayi Hsp90 protein 0.0135 0.6456 0.6456
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0105 0.3673 0.1785
Trichomonas vaginalis heat shock protein, putative 0.0174 1 1
Leishmania major p450 reductase, putative 0.0105 0.3673 0.1471
Plasmodium falciparum endoplasmin, putative 0.0109 0.4084 0.232
Echinococcus multilocularis heat shock protein 0.0174 1 1
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0155 0.8213 0.5
Leishmania major heat shock protein 83-1 0.0174 1 1
Loa Loa (eye worm) endoplasmin 0.0174 1 1
Trypanosoma cruzi Heat shock protein 83, putative 0.0174 1 1
Toxoplasma gondii heat shock protein 75, putative 0.0135 0.6456 0.5399
Leishmania major heat shock protein 83-1 0.0174 1 1
Chlamydia trachomatis sulfite reductase 0.0065 0 0.5
Leishmania major heat shock protein 83-1 0.0174 1 1
Leishmania major heat shock protein 83-1 0.0174 1 1
Plasmodium falciparum nitric oxide synthase, putative 0.0105 0.3673 0.1785
Leishmania major heat shock protein 83-1 0.0174 1 1
Trypanosoma cruzi p450 reductase, putative 0.0105 0.3673 0.158
Toxoplasma gondii heat shock protein HSP90 0.0174 1 1
Schistosoma mansoni heat shock protein 0.0174 1 1
Leishmania major heat shock protein 83-1 0.0174 1 1
Giardia lamblia Heat shock protein HSP 90-alpha 0.0147 0.7502 0.6633
Trypanosoma brucei heat shock protein 90, putative 0.0174 1 1
Trichomonas vaginalis heat shock protein, putative 0.0147 0.7502 0.7031
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0105 0.3673 0.158
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0105 0.3673 0.1471
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.0135 0.6456 0.6456
Trichomonas vaginalis endoplasmin, putative 0.0109 0.4084 0.2969
Leishmania major heat shock protein 83-1 0.0174 1 1
Echinococcus granulosus heat shock protein 90 0.0147 0.7502 0.7502
Trypanosoma brucei heat shock protein, putative 0.0174 1 1
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0105 0.3673 0.158
Brugia malayi FAD binding domain containing protein 0.0105 0.3673 0.3673
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0155 0.8213 0.5
Loa Loa (eye worm) heat shock protein 75 0.0135 0.6456 0.6456
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0155 0.8213 0.5
Trypanosoma brucei heat shock protein, putative 0.0174 1 1
Loa Loa (eye worm) hypothetical protein 0.0105 0.3673 0.3673
Plasmodium vivax endoplasmin, putative 0.0174 1 1
Plasmodium falciparum heat shock protein 90 0.0174 1 1

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 110.8 % Induction of Nrf2-dependent HO1 protein level in mouse BV-2 cells at 20 uM after 24 hrs by sandwich ELISA ChEMBL. 24467268

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.