Detailed information for compound 435912

Basic information

Technical information
  • TDR Targets ID: 435912
  • Name: 2-(4-chloroanilino)-5-(4-methoxybenzoyl)-4-me thylthiophene-3-carboxylic acid
  • MW: 401.863 | Formula: C20H16ClNO4S
  • H donors: 2 H acceptors: 3 LogP: 6.2 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)C(=O)c1sc(c(c1C)C(=O)O)Nc1ccc(cc1)Cl
  • InChi: 1S/C20H16ClNO4S/c1-11-16(20(24)25)19(22-14-7-5-13(21)6-8-14)27-18(11)17(23)12-3-9-15(26-2)10-4-12/h3-10,22H,1-2H3,(H,24,25)
  • InChiKey: UFAKHLGMXXNBNA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(4-chloroanilino)-5-(4-methoxybenzoyl)-4-methyl-thiophene-3-carboxylic acid
  • 2-(4-chloroanilino)-5-[(4-methoxyphenyl)-oxomethyl]-4-methyl-3-thiophenecarboxylic acid
  • 2-[(4-chlorophenyl)amino]-5-(4-methoxyphenyl)carbonyl-4-methyl-thiophene-3-carboxylic acid
  • 2-(4-chloroanilino)-4-methyl-5-p-anisoyl-3-thenoic acid

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 brucei DNA polymerase eta, putative 0.0076 0.6784 0.7404
Trypanosoma brucei DNA polymerase kappa, putative 0.0077 0.6941 0.7601
Trypanosoma brucei DNA polymerase kappa, putative 0.0077 0.6941 0.7601
Echinococcus multilocularis cpg binding protein 0.0032 0.0489 0.0121
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.1844 0.1165
Echinococcus granulosus cpg binding protein 0.0032 0.0489 0.0121
Echinococcus multilocularis dna polymerase eta 0.0076 0.6784 0.7569
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0059 0.4319 0.318
Trypanosoma brucei DNA polymerase kappa, putative 0.0077 0.6941 0.7601
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.0098 1 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0051 0.3224 0.3357
Trypanosoma cruzi DNA polymerase kappa, putative 0.0077 0.6941 0.7852
Mycobacterium tuberculosis Conserved hypothetical protein 0.0051 0.3224 0.7585
Trypanosoma brucei DNA polymerase kappa, putative 0.0077 0.6941 0.7601
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.1825 0.1141
Brugia malayi ImpB/MucB/SamB family protein 0.0076 0.6784 0.7539
Brugia malayi Disco-interacting protein 2 homolog 0.0037 0.119 0.0839
Schistosoma mansoni cpg binding protein 0.0032 0.0489 0.0121
Trypanosoma brucei DNA polymerase kappa, putative 0.0077 0.6941 0.7601
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.1844 0.1165
Schistosoma mansoni DNA polymerase eta 0.0076 0.6784 0.7569
Trypanosoma brucei DNA polymerase IV, putative 0.0077 0.6941 0.7601
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.0098 1 1
Leishmania major DNA polymerase eta, putative 0.0076 0.6784 0.7134
Brugia malayi glucose-6-phosphate dehydrogenase 0.009 0.884 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0077 0.6941 0.7601
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.009 0.884 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0058 0.4146 1
Onchocerca volvulus 0.0037 0.119 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.1844 0.1165
Loa Loa (eye worm) hypothetical protein 0.0042 0.1825 0.16
Trypanosoma brucei DNA polymerase IV, putative 0.0077 0.6941 0.7601
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.009 0.884 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0076 0.6784 0.7675
Toxoplasma gondii hypothetical protein 0.0082 0.7633 0.7159
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0098 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0077 0.6941 0.7852
Mycobacterium ulcerans DNA polymerase IV 0.0077 0.6941 0.5799
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.003 0.0125 0.0142
Trypanosoma cruzi DNA polymerase kappa, putative 0.0077 0.6941 0.7852
Brugia malayi polk-prov protein 0.0042 0.1825 0.16
Brugia malayi ImpB/MucB/SamB family protein 0.0051 0.3224 0.3275
Trypanosoma brucei DNA polymerase kappa, putative 0.0058 0.4146 0.4072
Trypanosoma brucei DNA polymerase IV, putative 0.0071 0.6018 0.6437
Trypanosoma brucei DNA polymerase kappa, putative 0.0077 0.6941 0.7601
Loa Loa (eye worm) hypothetical protein 0.0076 0.6784 0.7539
Echinococcus multilocularis dna polymerase kappa 0.0077 0.6941 0.7753
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.009 0.884 0.5
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.009 0.884 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.0051 0.3224 0.5
Echinococcus multilocularis disco interacting protein 2 0.0037 0.119 0.0951
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0051 0.3224 0.3357
Echinococcus granulosus dna polymerase eta 0.0076 0.6784 0.7569
Treponema pallidum glucose-6-phosphate 1-dehydrogenase 0.009 0.884 0.5
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0098 1 1
Schistosoma mansoni disco-interacting protein 2 (dip2) 0.0037 0.119 0.0951
Loa Loa (eye worm) hypothetical protein 0.0037 0.119 0.0839
Trypanosoma cruzi DNA polymerase eta, putative 0.0041 0.1669 0.1888
Trypanosoma cruzi DNA polymerase kappa, putative 0.0077 0.6941 0.7852
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0051 0.3224 0.3275
Echinococcus granulosus dna polymerase kappa 0.0077 0.6941 0.7753
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.009 0.884 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0077 0.6941 0.7601
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.009 0.884 1
Schistosoma mansoni cpg binding protein 0.0032 0.0489 0.0121
Mycobacterium ulcerans DNA polymerase IV 0.0077 0.6941 0.5799
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0098 1 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0051 0.3224 0.3357
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.009 0.884 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0051 0.3224 0.3357
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0058 0.4146 0.3455
Echinococcus granulosus disco interacting protein 2 0.0037 0.119 0.0951
Leishmania major DNA polymerase kappa, putative 0.0058 0.4146 0.3455
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.0098 1 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.1825 0.1141
Trypanosoma brucei unspecified product 0.0071 0.6018 0.6437
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.009 0.884 1
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.009 0.884 1
Schistosoma mansoni cpg binding protein 0.0032 0.0489 0.0121
Trypanosoma brucei DNA polymerase kappa, putative 0.0077 0.6941 0.7601

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) 0 Antioxidant activity assessed as nitric oxide radical scavenging activity at 5 ug/ml after 150 mins ChEMBL. 17336429
Activity (functional) 0 Antioxidant activity assessed as nitric oxide radical scavenging activity at 10 ug/ml after 150 mins ChEMBL. 17336429
Activity (functional) 0 Antioxidant activity assessed as nitric oxide radical scavenging activity at 15 ug/ml after 150 mins ChEMBL. 17336429
Activity (functional) 0 Antioxidant activity assessed as nitric oxide radical scavenging activity at 20 ug/ml after 150 mins ChEMBL. 17336429
Activity (functional) 0 Antioxidant activity assessed as nitric oxide radical scavenging activity at 25 ug/ml after 150 mins ChEMBL. 17336429
Activity (functional) 0 Antioxidant activity assessed as nitric oxide radical scavenging activity at 30 ug/ml after 150 mins ChEMBL. 17336429
Activity (functional) 0 Antioxidant activity assessed as nitric oxide radical scavenging activity at 35 ug/ml after 150 mins ChEMBL. 17336429
Activity (functional) 0 Inhibition of nitric oxide radical scavenging activity ChEMBL. 17336429
Activity (functional) = 30 % Analgesic activity in Albino mouse assessed as protection against acetic acid-induced writhing at 10 mg/kg, ip within 30 mins ChEMBL. 17336429
Activity (functional) = 30 % Analgesic activity in Albino mouse assessed as protection against acetic acid-induced writhing at 10 mg/kg, ip within 30 mins ChEMBL. 17336429
Activity (functional) = 43 % Antiinflammatory activity in Albino rat assessed as protection against carrageenin-induced hind paw oedema at 40 mg/kg, po after 3 hrs ChEMBL. 17336429
Activity (functional) = 49 % Antiinflammatory activity in Albino rat assessed as protection against carrageenin-induced hind paw oedema at 10 mg/kg, po after 3 hrs ChEMBL. 17336429
Activity (functional) = 49 % Antiinflammatory activity in Albino rat assessed as protection against carrageenin-induced hind paw oedema at 20 mg/kg, po after 3 hrs ChEMBL. 17336429

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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