Detailed information for compound 1483097

Basic information

Technical information
  • TDR Targets ID: 1483097
  • Name: N-[(3,4-dichlorophenyl)methyl]thiophene-2-car boxamide
  • MW: 286.177 | Formula: C12H9Cl2NOS
  • H donors: 1 H acceptors: 1 LogP: 3.96 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cccs1)NCc1ccc(c(c1)Cl)Cl
  • InChi: 1S/C12H9Cl2NOS/c13-9-4-3-8(6-10(9)14)7-15-12(16)11-2-1-5-17-11/h1-6H,7H2,(H,15,16)
  • InChiKey: MXASAEFHMSREJU-UHFFFAOYSA-N  

Network

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Synonyms

  • N-[(3,4-dichlorophenyl)methyl]-2-thiophenecarboxamide
  • N-(3,4-dichlorobenzyl)thiophene-2-carboxamide
  • IVK/8143523
  • ZINC00475725

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli chaperone Hsp70, with co-chaperone DnaJ Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania major heat shock 70-related protein 1, mitochondrial precursor, putative Get druggable targets OG5_126744 All targets in OG5_126744
Schistosoma japonicum ko:K04043 molecular chaperone DnaK, putative Get druggable targets OG5_126744 All targets in OG5_126744
Leishmania infantum heat shock 70-related protein 1, mitochondrial precursor, putative Get druggable targets OG5_126744 All targets in OG5_126744
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126744 All targets in OG5_126744
Trypanosoma brucei gambiense heat shock 70 kDa protein, mitochondrial precursor, putative Get druggable targets OG5_126744 All targets in OG5_126744
Leishmania major heat shock 70-related protein 1, mitochondrial precursor, putative Get druggable targets OG5_126744 All targets in OG5_126744
Mycobacterium tuberculosis Probable chaperone protein DnaK (heat shock protein 70) (heat shock 70 kDa protein) (HSP70) Get druggable targets OG5_126744 All targets in OG5_126744
Leishmania infantum heat shock 70-related protein 1, mitochondrial precursor, putative Get druggable targets OG5_126744 All targets in OG5_126744
Treponema pallidum molecular chaperone DnaK Get druggable targets OG5_126744 All targets in OG5_126744
Mycobacterium ulcerans chaperone protein DnaK1 Get druggable targets OG5_126744 All targets in OG5_126744
Trypanosoma congolense heat shock 70 kDa protein, putative Get druggable targets OG5_126744 All targets in OG5_126744
Plasmodium falciparum heat shock protein 70 Get druggable targets OG5_126744 All targets in OG5_126744
Schistosoma mansoni heat shock protein 70 Get druggable targets OG5_126744 All targets in OG5_126744
Echinococcus multilocularis heat shock protein 70 Get druggable targets OG5_126744 All targets in OG5_126744
Neospora caninum hypothetical protein Get druggable targets OG5_126744 All targets in OG5_126744
Candida albicans heat shock protein Get druggable targets OG5_126744 All targets in OG5_126744
Leishmania mexicana heat shock 70-related protein 1, mitochondrial precursor, putative Get druggable targets OG5_126744 All targets in OG5_126744
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126744 All targets in OG5_126744
Candida albicans Mitochondrial import protein (DnaK) Get druggable targets OG5_126744 All targets in OG5_126744
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN DNAK (HEAT SHOCK PROTEIN 70) (HEAT SHOCK 70 KDA PROTEIN) (HSP70) Get druggable targets OG5_126744 All targets in OG5_126744
Candida albicans Mitochondrial import protein (DnaK) Get druggable targets OG5_126744 All targets in OG5_126744
Trypanosoma brucei heat shock 70 kDa protein, mitochondrial precursor, putative Get druggable targets OG5_126744 All targets in OG5_126744
Trypanosoma congolense heat shock 70 kDa protein, putative Get druggable targets OG5_126744 All targets in OG5_126744
Trypanosoma brucei heat shock 70 kDa protein, mitochondrial precursor, putative Get druggable targets OG5_126744 All targets in OG5_126744
Plasmodium vivax heat shock protein 70, putative Get druggable targets OG5_126744 All targets in OG5_126744
Cryptosporidium parvum heat shock protein HSP70, mitochondrial Get druggable targets OG5_126744 All targets in OG5_126744
Entamoeba histolytica heat shock protein 70, mitochondrial, putative Get druggable targets OG5_126744 All targets in OG5_126744
Trypanosoma cruzi heat shock 70 kDa protein, mitochondrial precursor, putative Get druggable targets OG5_126744 All targets in OG5_126744
Trypanosoma brucei heat shock 70 kDa protein, mitochondrial precursor, putative Get druggable targets OG5_126744 All targets in OG5_126744
Entamoeba histolytica heat shock protein 70, mitochondrial, putative Get druggable targets OG5_126744 All targets in OG5_126744
Trichomonas vaginalis heat shock protein 70 (HSP70)-4, putative Get druggable targets OG5_126744 All targets in OG5_126744
Trichomonas vaginalis heat shock protein, putative Get druggable targets OG5_126744 All targets in OG5_126744
Leishmania braziliensis heat shock 70-related protein 1, mitochondrial precursor, putative Get druggable targets OG5_126744 All targets in OG5_126744
Trichomonas vaginalis heat shock protein, putative Get druggable targets OG5_126744 All targets in OG5_126744
Babesia bovis heat shock protein 70 Get druggable targets OG5_126744 All targets in OG5_126744
Cryptosporidium hominis dnaK-type molecular chaperone hsp70, organellar Get druggable targets OG5_126744 All targets in OG5_126744
Leishmania mexicana heat shock 70-related protein 1, mitochondrial precursor, putative Get druggable targets OG5_126744 All targets in OG5_126744
Leishmania major heat shock 70-related protein 1, mitochondrial precursor, putative Get druggable targets OG5_126744 All targets in OG5_126744
Onchocerca volvulus Heat shock 70 kDa protein F, mitochondrial homolog Get druggable targets OG5_126744 All targets in OG5_126744
Leishmania mexicana heat shock 70-related protein 1, mitochondrial precursor, putative Get druggable targets OG5_126744 All targets in OG5_126744
Plasmodium berghei heat shock protein 70, putative Get druggable targets OG5_126744 All targets in OG5_126744
Echinococcus multilocularis heat shock 70 kDa protein, mitochondrial precursor, putative Get druggable targets OG5_126744 All targets in OG5_126744
Entamoeba histolytica heat shock protein70, mitochondrial, putative Get druggable targets OG5_126744 All targets in OG5_126744
Entamoeba histolytica heat shock protein 70, mitochondrial, putative Get druggable targets OG5_126744 All targets in OG5_126744
Leishmania infantum heat shock 70-related protein 1, mitochondrial precursor, putative Get druggable targets OG5_126744 All targets in OG5_126744
Leishmania major heat shock 70-related protein 1, mitochondrial precursor, putative Get druggable targets OG5_126744 All targets in OG5_126744
Brugia malayi Heat shock 70 kDa protein F, mitochondrial precursor, putative Get druggable targets OG5_126744 All targets in OG5_126744
Echinococcus granulosus stress 70 protein mitochondrial Get druggable targets OG5_126744 All targets in OG5_126744
Leishmania braziliensis heat shock 70-related protein 1, mitochondrial precursor, putative Get druggable targets OG5_126744 All targets in OG5_126744
Leishmania mexicana heat shock 70-related protein 1, mitochondrial precursor, putative Get druggable targets OG5_126744 All targets in OG5_126744
Candida albicans hypothetical protein Get druggable targets OG5_126744 All targets in OG5_126744
Leishmania infantum heat shock 70-related protein 1, mitochondrial precursor, putative Get druggable targets OG5_126744 All targets in OG5_126744
Trypanosoma brucei gambiense heat shock 70 kDa protein, mitochondrial precursor, putative Get druggable targets OG5_126744 All targets in OG5_126744
Leishmania major heat shock 70-related protein 1, mitochondrial precursor, putative Get druggable targets OG5_126744 All targets in OG5_126744
Trypanosoma brucei gambiense heat shock 70 kDa protein, mitochondrial precursor, putative Get druggable targets OG5_126744 All targets in OG5_126744
Wolbachia endosymbiont of Brugia malayi molecular chaperone DnaK Get druggable targets OG5_126744 All targets in OG5_126744
Plasmodium knowlesi heat shock protein 70, putative Get druggable targets OG5_126744 All targets in OG5_126744
Theileria parva heat shock protein 70, putative Get druggable targets OG5_126744 All targets in OG5_126744
Mycobacterium ulcerans molecular chaperone DnaK Get druggable targets OG5_126744 All targets in OG5_126744
Onchocerca volvulus Get druggable targets OG5_126744 All targets in OG5_126744
Plasmodium yoelii heat shock protein hsp70 homologue Pfhsp70-3 Get druggable targets OG5_126744 All targets in OG5_126744
Entamoeba histolytica mitochondrial-type heat shock protein 70 Get druggable targets OG5_126744 All targets in OG5_126744
Chlamydia trachomatis chaperone protein DnaK Get druggable targets OG5_126744 All targets in OG5_126744
Echinococcus granulosus heat shock protein 70 Get druggable targets OG5_126744 All targets in OG5_126744
Toxoplasma gondii heat shock protein Get druggable targets OG5_126744 All targets in OG5_126744
Schistosoma mansoni heat shock protein 70 Get druggable targets OG5_126744 All targets in OG5_126744

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum heat shock protein 70 chaperone Hsp70, with co-chaperone DnaJ 638 aa 614 aa 48.4 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.1243 0.2635 0.3595
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.2707 1 1
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.1488 0.3869 1
Echinococcus multilocularis prolyl endopeptidase 0.1884 0.586 0.4379
Loa Loa (eye worm) hypothetical protein 0.1884 0.586 0.586
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.1243 0.2635 0.3595
Brugia malayi prolyl oligopeptidase family protein 0.1243 0.2635 0.2635
Trypanosoma brucei prolyl endopeptidase 0.1884 0.586 1
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.1243 0.2635 0.3595
Loa Loa (eye worm) prolyl oligopeptidase 0.2707 1 1
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.2707 1 1
Brugia malayi prolyl oligopeptidase family protein 0.1884 0.586 0.586
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.1884 0.586 1
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.2707 1 1
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0883 0.0825 0.5
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.2707 1 1
Echinococcus granulosus prolyl endopeptidase 0.1884 0.586 0.4379
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.1884 0.586 0.4379
Trypanosoma cruzi prolyl endopeptidase 0.1884 0.586 1
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.1243 0.2635 0.3595
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.1243 0.2635 0.3595
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0883 0.0825 0.5
Toxoplasma gondii prolyl endopeptidase 0.1884 0.586 1
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.1884 0.586 0.4379

Activities

Activity type Activity value Assay description Source Reference
Kd (binding) 7.3 uM PUBCHEM_BIOASSAY: ITC - based assay for small molecule DnaK Modulators targeting the beta-domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1033, AID1494, AID1501, AID1503, AID1505] ChEMBL. No reference

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

No literature references available for this target.

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