Detailed information for compound 339261

Basic information

Technical information
  • TDR Targets ID: 339261
  • Name: (Z)-2-benzamido-3-[5-(4-chlorophenyl)furan-2- yl]prop-2-enoic acid
  • MW: 367.782 | Formula: C20H14ClNO4
  • H donors: 2 H acceptors: 3 LogP: 4.31 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)c1ccc(o1)/C=C(/C(=O)O)\NC(=O)c1ccccc1
  • InChi: 1S/C20H14ClNO4/c21-15-8-6-13(7-9-15)18-11-10-16(26-18)12-17(20(24)25)22-19(23)14-4-2-1-3-5-14/h1-12H,(H,22,23)(H,24,25)/b17-12-
  • InChiKey: KYQZDIMNPXQJPU-ATVHPVEESA-N  


Substructure search Similarity search

Network

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Synonyms

  • (Z)-2-benzamido-3-[5-(4-chlorophenyl)-2-furyl]prop-2-enoic acid
  • (Z)-2-benzamido-3-[5-(4-chlorophenyl)-2-furyl]-2-propenoic acid
  • (Z)-2-benzamido-3-[5-(4-chlorophenyl)-2-furyl]acrylic acid
  • 2-Benzoylamino-3-[5-(4-chloro-phenyl)-furan-2-yl]-acrylic acid
  • AIDS-326337
  • AIDS326337

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Hepatitis C virus Hepatitis C virus NS5B RNA-dependent RNA polymerase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni hypothetical protein Get druggable targets OG5_128192 All targets in OG5_128192
Trypanosoma brucei gambiense DNA repair and recombination helicase protein PIF1, putative,DNA repair and recombination protein, mitochondrial precursor, puta Get druggable targets OG5_128192 All targets in OG5_128192
Leishmania mexicana PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative Get druggable targets OG5_128192 All targets in OG5_128192
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative Get druggable targets OG5_128192 All targets in OG5_128192
Leishmania infantum PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative Get druggable targets OG5_128192 All targets in OG5_128192
Entamoeba histolytica DNA repair and recombination protein, putative Get druggable targets OG5_128192 All targets in OG5_128192
Trypanosoma congolense DNA repair and recombination protein, mitochondrial precursor, putative Get druggable targets OG5_128192 All targets in OG5_128192
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_128192 All targets in OG5_128192
Giardia lamblia Rrm3p helicase Get druggable targets OG5_128192 All targets in OG5_128192
Trypanosoma congolense DNA repair and recombination helicase protein PIF6 Get druggable targets OG5_128192 All targets in OG5_128192
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative Get druggable targets OG5_128192 All targets in OG5_128192
Echinococcus granulosus ATP dependent DNA helicase PIF1 Get druggable targets OG5_128192 All targets in OG5_128192
Schistosoma japonicum ko:K01529 PIF1 5'-to-3' DNA helicase [EC:3.6.1.-], putative Get druggable targets OG5_128192 All targets in OG5_128192
Leishmania donovani PIF1 helicase-like protein, putative Get druggable targets OG5_128192 All targets in OG5_128192
Leishmania donovani PIF1 helicase-like protein, putative Get druggable targets OG5_128192 All targets in OG5_128192
Entamoeba histolytica hypothetical protein, conserved Get druggable targets OG5_128192 All targets in OG5_128192
Candida albicans similar to PIF1 DNA helicase Get druggable targets OG5_128192 All targets in OG5_128192
Candida albicans DNA helicase Get druggable targets OG5_128192 All targets in OG5_128192
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 Get druggable targets OG5_128192 All targets in OG5_128192
Candida albicans similar to putative DNA helicase involved in repair and recombination of mitochondrial DNA that also plays a role in (nuclear) c Get druggable targets OG5_128192 All targets in OG5_128192
Trypanosoma brucei gambiense DNA repair and recombination helicase protein PIF1, putative,DNA repair and recombination protein, mitochondrial precursor, puta Get druggable targets OG5_128192 All targets in OG5_128192
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative Get druggable targets OG5_128192 All targets in OG5_128192
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 Get druggable targets OG5_128192 All targets in OG5_128192
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative Get druggable targets OG5_128192 All targets in OG5_128192
Echinococcus multilocularis ATP dependent DNA helicase PIF1 Get druggable targets OG5_128192 All targets in OG5_128192
Leishmania braziliensis PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative Get druggable targets OG5_128192 All targets in OG5_128192
Leishmania mexicana PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative Get druggable targets OG5_128192 All targets in OG5_128192
Leishmania infantum PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative Get druggable targets OG5_128192 All targets in OG5_128192
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative Get druggable targets OG5_128192 All targets in OG5_128192
Leishmania braziliensis PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative Get druggable targets OG5_128192 All targets in OG5_128192
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
Brugia malayi EGF-like domain containing protein 0.0021 0.0819 0.0742
Echinococcus multilocularis neurogenic locus protein delta 0.0021 0.0819 0.0819
Plasmodium falciparum glutathione reductase 0.0072 1 1
Toxoplasma gondii NADPH-glutathione reductase 0.0025 0.1476 0.0716
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0034 0.3055 0.3055
Trypanosoma cruzi trypanothione reductase, putative 0.0072 1 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0819 0.0819
Schistosoma mansoni c4b-binding protein beta chain 0.0039 0.409 0.3562
Brugia malayi notch-like transmembrane receptor 0.0021 0.0819 0.0742
Brugia malayi hypothetical protein 0.0039 0.409 0.404
Loa Loa (eye worm) hypothetical protein 0.0039 0.409 0.409
Echinococcus granulosus neurogenic locus notch protein 0.0021 0.0819 0.0819
Echinococcus granulosus neurogenic locus notch protein 0.0021 0.0819 0.0819
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.0034 0.3055 0.2997
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0025 0.1476 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 0.0819 0.0819
Trypanosoma brucei trypanothione reductase 0.0072 1 1
Echinococcus multilocularis notch 0.0021 0.0819 0.0819
Brugia malayi Cadherin domain containing protein 0.0021 0.0819 0.0742
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0034 0.3055 0.2997
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0025 0.1476 0.0716
Loa Loa (eye worm) hypothetical protein 0.0039 0.409 0.409
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0018 0.0276 0.0195
Brugia malayi hypothetical protein 0.0039 0.409 0.404
Plasmodium vivax glutathione reductase, putative 0.0072 1 1
Brugia malayi hypothetical protein 0.0039 0.409 0.404
Brugia malayi hypothetical protein 0.0039 0.409 0.404
Echinococcus granulosus neural cadherin 0.0021 0.0819 0.0819
Onchocerca volvulus 0.0039 0.409 1
Plasmodium falciparum thioredoxin reductase 0.0072 1 1
Echinococcus multilocularis neurogenic locus notch protein 0.0021 0.0819 0.0819
Loa Loa (eye worm) hypothetical protein 0.0039 0.409 0.409
Brugia malayi EGF-like domain containing protein 0.0021 0.0819 0.0742
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0034 0.3055 0.2997
Brugia malayi Muscle positioning protein 4 0.0021 0.0819 0.0742
Toxoplasma gondii rhoptry neck protein RON1 0.0039 0.409 0.3562
Brugia malayi GCC2 and GCC3 family protein 0.0061 0.7953 0.7936
Loa Loa (eye worm) hypothetical protein 0.0039 0.409 0.409
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0025 0.1476 0.1405
Echinococcus granulosus c4b binding protein beta chain 0.0039 0.409 0.409
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0025 0.1476 0.1405
Echinococcus multilocularis fat cadherin tumor suppressor 0.0021 0.0819 0.0819
Echinococcus multilocularis neurogenic locus notch protein 0.0021 0.0819 0.0819
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0018 0.0276 0.0195
Loa Loa (eye worm) hypothetical protein 0.0039 0.409 0.409
Brugia malayi EGF-like domain containing protein 0.0021 0.0819 0.0742
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0025 0.1476 0.1405
Echinococcus granulosus notch 0.0021 0.0819 0.0819
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0025 0.1476 0.1405
Brugia malayi Sushi domain 0.0039 0.409 0.404
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0025 0.1476 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0819 0.0819
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0025 0.1476 0.1405
Echinococcus granulosus thioredoxin glutathione reductase 0.0072 1 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0819 0.0819
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0025 0.1476 0.5
Brugia malayi Cytochrome P450 family protein 0.0028 0.212 0.2054
Echinococcus granulosus neurogenic locus notch protein 4 0.0021 0.0819 0.0819
Loa Loa (eye worm) hypothetical protein 0.0061 0.7953 0.7953
Echinococcus granulosus fibropellin Ia 0.0021 0.0819 0.0819
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0025 0.1476 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 0.0819 0.0819
Onchocerca volvulus 0.0039 0.409 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0819 0.0819
Echinococcus multilocularis protein jagged 1 0.0021 0.0819 0.0819
Onchocerca volvulus 0.0039 0.409 1
Entamoeba histolytica hypothetical protein, conserved 0.0034 0.3055 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 0.0819 0.0819
Loa Loa (eye worm) glutathione reductase 0.0072 1 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0819 0.0819
Loa Loa (eye worm) hypothetical protein 0.0039 0.409 0.409
Giardia lamblia Rrm3p helicase 0.0034 0.3055 1
Brugia malayi EGF-like domain containing protein 0.0021 0.0819 0.0742
Echinococcus granulosus protein jagged 1 0.0021 0.0819 0.0819
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0034 0.3055 0.2997
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0025 0.1476 0.1405
Entamoeba histolytica DNA repair and recombination protein, putative 0.0034 0.3055 0.5
Echinococcus granulosus neurogenic locus protein delta 0.0021 0.0819 0.0819
Loa Loa (eye worm) Notch2 0.0021 0.0819 0.0819
Leishmania major trypanothione reductase 0.0072 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.3055 1
Brugia malayi hypothetical protein 0.0039 0.409 0.404
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0025 0.1476 0.1405
Echinococcus multilocularis slit 2 protein 0.0021 0.0819 0.0819
Echinococcus granulosus protein jagged 2 0.0021 0.0819 0.0819
Toxoplasma gondii rhoptry neck protein RON9 0.0039 0.409 0.3562
Echinococcus granulosus protein jagged 2 0.0021 0.0819 0.0819
Loa Loa (eye worm) hypothetical protein 0.0044 0.489 0.489
Loa Loa (eye worm) hypothetical protein 0.0039 0.409 0.409
Plasmodium vivax apical sushi protein, putative 0.0039 0.409 0.3066
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0025 0.1476 0.1405
Loa Loa (eye worm) CYP4Cod1 0.0017 0.0083 0.0083
Loa Loa (eye worm) cytochrome P450 family protein 0.0028 0.212 0.212
Onchocerca volvulus 0.0039 0.409 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0072 1 1
Onchocerca volvulus 0.0039 0.409 1
Echinococcus granulosus slit 2 protein 0.0021 0.0819 0.0819
Echinococcus multilocularis neurogenic locus notch protein 4 0.0021 0.0819 0.0819
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.0034 0.3055 0.2997
Echinococcus granulosus ATP dependent DNA helicase PIF1 0.0034 0.3055 0.3055
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0025 0.1476 0.1405
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0025 0.1476 0.1405
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0025 0.1476 0.1476
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0025 0.1476 0.5
Treponema pallidum NADH oxidase 0.0025 0.1476 0.5
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0072 1 1
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0025 0.1476 0.0716
Loa Loa (eye worm) hypothetical protein 0.0021 0.0819 0.0819
Schistosoma mansoni hypothetical protein 0.0034 0.3055 0.2435
Echinococcus multilocularis neural cadherin 0.0021 0.0819 0.0819
Onchocerca volvulus 0.0039 0.409 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0017 0.0083 0.0083
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0025 0.1476 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0819 0.0819
Echinococcus multilocularis C type lectin domian containing protein 0.0039 0.409 0.409
Echinococcus granulosus protein jagged 1 0.0021 0.0819 0.0819
Loa Loa (eye worm) hypothetical protein 0.0021 0.0819 0.0819
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0021 0.0819 0.0742
Loa Loa (eye worm) pregnancy-associated plasma protein-E 0.0039 0.409 0.409
Echinococcus multilocularis neurogenic locus protein delta 0.0021 0.0819 0.0819
Loa Loa (eye worm) hypothetical protein 0.0021 0.0819 0.0819
Brugia malayi Thioredoxin reductase 0.0072 1 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0819 0.0819
Plasmodium falciparum apical sushi protein 0.0039 0.409 0.3066
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0025 0.1476 1
Echinococcus granulosus delta-like protein 1 0.0021 0.0819 0.0819
Brugia malayi Calcium binding EGF domain containing protein 0.0021 0.0819 0.0742
Brugia malayi Cadherin domain containing protein 0.0021 0.0819 0.0742
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0034 0.3055 0.2997
Brugia malayi Calcium binding EGF domain containing protein 0.0021 0.0819 0.0742
Loa Loa (eye worm) hypothetical protein 0.0021 0.0819 0.0819
Brugia malayi pregnancy-associated plasma protein-A 0.0039 0.409 0.404
Onchocerca volvulus 0.0039 0.409 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0819 0.0819
Brugia malayi EGF-like domain containing protein 0.0021 0.0819 0.0742
Onchocerca volvulus 0.0039 0.409 1
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0025 0.1476 0.1405
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0025 0.1476 0.1405
Loa Loa (eye worm) hypothetical protein 0.0021 0.0819 0.0819
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0034 0.3055 0.2997
Loa Loa (eye worm) hypothetical protein 0.0021 0.0819 0.0819
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0025 0.1476 0.1405
Brugia malayi Delta serrate ligand family protein 0.0021 0.0819 0.0742
Trypanosoma cruzi trypanothione reductase, putative 0.0025 0.1476 0.1405
Echinococcus multilocularis c4b binding protein beta chain 0.0039 0.409 0.409
Brugia malayi Calcium binding EGF domain containing protein 0.0021 0.0819 0.0742
Loa Loa (eye worm) hypothetical protein 0.0021 0.0819 0.0819
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0025 0.1476 0.1476
Toxoplasma gondii thioredoxin reductase 0.0072 1 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0025 0.1476 0.1405
Brugia malayi hypothetical protein 0.0039 0.409 0.404
Giardia lamblia NADH oxidase lateral transfer candidate 0.0025 0.1476 0.2938
Onchocerca volvulus 0.0039 0.409 1
Loa Loa (eye worm) thioredoxin reductase 0.0072 1 1
Plasmodium vivax thioredoxin reductase, putative 0.0072 1 1
Echinococcus granulosus C type lectin domian containing protein 0.0039 0.409 0.409
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0025 0.1476 0.1405
Echinococcus multilocularis protein jagged 2 0.0021 0.0819 0.0819
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0025 0.1476 0.1405
Loa Loa (eye worm) hypothetical protein 0.0021 0.0819 0.0819
Loa Loa (eye worm) hypothetical protein 0.0021 0.0819 0.0819
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0025 0.1476 0.1405
Echinococcus multilocularis fibropellin Ia 0.0021 0.0819 0.0819
Brugia malayi EGF-like domain containing protein 0.0021 0.0819 0.0742
Brugia malayi hypothetical protein 0.0039 0.409 0.404
Brugia malayi EGF-like domain containing protein 0.0021 0.0819 0.0742
Onchocerca volvulus 0.0039 0.409 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0017 0.0083 0.0083
Loa Loa (eye worm) notch protein 0.0021 0.0819 0.0819
Loa Loa (eye worm) hypothetical protein 0.0021 0.0819 0.0819
Echinococcus multilocularis protein jagged 1 0.0021 0.0819 0.0819

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 4.6 uM Inhibitory concentration against Hepatitis C virus NS5B polymerase ChEMBL. 15863301
IC50 (binding) = 4.6 uM Inhibitory concentration against Hepatitis C virus NS5B polymerase ChEMBL. 15863301

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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