Detailed information for compound 719571

Basic information

Technical information
  • TDR Targets ID: 719571
  • Name: methyl 5-carbamoyl-2-[4-(2,4-dichlorophenoxy) butanoylamino]-4-methylthiophene-3-carboxylat e
  • MW: 445.317 | Formula: C18H18Cl2N2O5S
  • H donors: 2 H acceptors: 3 LogP: 4.3 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1c(NC(=O)CCCOc2ccc(cc2Cl)Cl)sc(c1C)C(=O)N
  • InChi: 1S/C18H18Cl2N2O5S/c1-9-14(18(25)26-2)17(28-15(9)16(21)24)22-13(23)4-3-7-27-12-6-5-10(19)8-11(12)20/h5-6,8H,3-4,7H2,1-2H3,(H2,21,24)(H,22,23)
  • InChiKey: IPFSZURHMBFYKL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • methyl 5-carbamoyl-2-[4-(2,4-dichlorophenoxy)butanoylamino]-4-methyl-thiophene-3-carboxylate
  • 5-carbamoyl-2-[[4-(2,4-dichlorophenoxy)-1-oxobutyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester
  • 5-carbamoyl-2-[4-(2,4-dichlorophenoxy)butanoylamino]-4-methyl-thiophene-3-carboxylic acid methyl ester
  • methyl 5-aminocarbonyl-2-[4-(2,4-dichlorophenoxy)butanoylamino]-4-methyl-thiophene-3-carboxylate
  • IVK/9441171

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
Loa Loa (eye worm) hypothetical protein 0.0063 0.2484 0.247
Entamoeba histolytica brix domain containing protein 0.0073 0.2953 1
Schistosoma mansoni hypothetical protein 0.0011 0.0037 0.0019
Trypanosoma brucei brix domain containing protein, putative 0.0073 0.2953 1
Brugia malayi Ets-domain containing protein 0.0073 0.2984 0.2957
Schistosoma mansoni polyomavirus enhancer activator 3 pea3 0.0011 0.0037 0.0019
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0821 0.0804
Loa Loa (eye worm) hypothetical protein 0.002 0.0481 0.0463
Loa Loa (eye worm) DNA-binding protein D-ETS-3 0.0011 0.0037 0.0019
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.001 0.0018 0.0062
Echinococcus granulosus intermediate filament protein 0.0027 0.0821 0.2659
Echinococcus multilocularis bloom syndrome protein 0.002 0.0481 0.1505
Schistosoma mansoni ets-related 0.0011 0.0037 0.0019
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0481 0.0445
Plasmodium vivax hypothetical protein, conserved 0.0073 0.2953 1
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.0481 0.1576
Echinococcus granulosus peter pan 0.0073 0.2953 0.9896
Toxoplasma gondii brix domain-containing protein 0.0073 0.2953 1
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0481 0.0445
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0073 0.2984 0.2971
Onchocerca volvulus Peter pan protein homolog 0.0073 0.2953 1
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.002 0.0481 0.1505
Echinococcus multilocularis peter pan 0.0073 0.2953 0.9896
Echinococcus granulosus lamin 0.0027 0.0821 0.2659
Schistosoma mansoni ets-related 0.0223 1 1
Echinococcus granulosus bloom syndrome protein 0.002 0.0481 0.1505
Echinococcus granulosus GA binding protein alpha chain 0.0073 0.2984 1
Schistosoma mansoni peter pan-related 0.0073 0.2953 0.294
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0225 0.0188
Schistosoma mansoni elf1 0.0011 0.0037 0.0019
Brugia malayi Bloom's syndrome protein homolog 0.002 0.0481 0.0445
Schistosoma mansoni hypothetical protein 0.0011 0.0037 0.0019
Schistosoma mansoni intermediate filament proteins 0.0027 0.0821 0.0804
Brugia malayi Ets-domain containing protein 0.0073 0.2984 0.2957
Loa Loa (eye worm) hypothetical protein 0.0027 0.0797 0.0781
Echinococcus multilocularis GA binding protein alpha chain 0.0073 0.2984 1
Loa Loa (eye worm) ATP-dependent DNA helicase 0.002 0.0481 0.0463
Loa Loa (eye worm) hypothetical protein 0.0011 0.0037 0.0019
Schistosoma mansoni gabp alpha 0.0073 0.2984 0.2971
Echinococcus granulosus lamin dm0 0.0027 0.0821 0.2659
Schistosoma mansoni DNA helicase recq1 0.002 0.0481 0.0463
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0225 0.0207
Brugia malayi intermediate filament protein 0.0027 0.0821 0.0786
Schistosoma mansoni lamin 0.0027 0.0821 0.0804
Schistosoma mansoni ets 0.0011 0.0037 0.0019
Entamoeba histolytica recQ family helicase, putative 0.002 0.0481 0.1628
Loa Loa (eye worm) hypothetical protein 0.0011 0.0037 0.0019
Echinococcus multilocularis lamin dm0 0.0027 0.0821 0.2659
Loa Loa (eye worm) hypothetical protein 0.001 0.0018 0.0000000003896
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0018 0.0062
Plasmodium falciparum BRIX domain, putative 0.0073 0.2953 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0821 0.0804
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0481 0.1628
Loa Loa (eye worm) D-ets-2 protein 0.0011 0.0037 0.0019
Loa Loa (eye worm) ets-domain-containing protein 0.0011 0.0037 0.0019
Echinococcus multilocularis lamin 0.0027 0.0821 0.2659
Echinococcus multilocularis zinc finger protein 598 0.0072 0.2932 0.9824
Loa Loa (eye worm) brix domain-containing protein 0.0073 0.2953 0.294
Loa Loa (eye worm) hypothetical protein 0.0013 0.0157 0.0139
Trichomonas vaginalis ssf, putative 0.0073 0.2953 1
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.0157 0.0406
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0481 0.1628
Loa Loa (eye worm) hypothetical protein 0.0027 0.0821 0.0804
Echinococcus granulosus ATP dependent DNA helicase Q5 0.002 0.0481 0.1505
Schistosoma mansoni peter pan-related 0.0073 0.2953 0.294
Entamoeba histolytica recQ family DNA helicase 0.001 0.0018 0.0062
Schistosoma mansoni DNA helicase recq5 0.002 0.0481 0.0463
Loa Loa (eye worm) fli-1 protein 0.0223 1 1
Schistosoma mansoni lamin 0.0027 0.0821 0.0804
Echinococcus granulosus ATP dependent DNA helicase Q1 0.002 0.0481 0.1505
Treponema pallidum ATP-dependent DNA helicase 0.001 0.0018 0.5
Loa Loa (eye worm) hypothetical protein 0.0013 0.0133 0.0115
Echinococcus multilocularis musashi 0.0027 0.0821 0.2659
Echinococcus granulosus zinc finger protein 598 0.0072 0.2932 0.9824
Trypanosoma cruzi peter pan protein, putative 0.0073 0.2953 1
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0821 0.0786
Trypanosoma cruzi peter pan protein, putative 0.0073 0.2953 1
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0011 0.0037 0.0019
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.0157 0.0406
Loa Loa (eye worm) RecQ helicase 0.002 0.0481 0.0463
Giardia lamblia Peter pan protein 0.0073 0.2953 1
Leishmania major peter pan protein, putative 0.0073 0.2953 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0133 0.0115
Brugia malayi Brix domain containing protein 0.0073 0.2953 0.2927
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.002 0.0481 0.1505

Activities

No activities found for this compound.

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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