Detailed information for compound 871621

Basic information

Technical information
  • TDR Targets ID: 871621
  • Name: N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-chlo ro-4-nitrobenzamide
  • MW: 340.785 | Formula: C13H13ClN4O3S
  • H donors: 1 H acceptors: 5 LogP: 3.7 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(c(c1)Cl)[N+](=O)[O-])Nc1nnc(s1)C(C)(C)C
  • InChi: 1S/C13H13ClN4O3S/c1-13(2,3)11-16-17-12(22-11)15-10(19)7-4-5-9(18(20)21)8(14)6-7/h4-6H,1-3H3,(H,15,17,19)
  • InChiKey: PJJKONSBDIATEG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-chloro-4-nitro-benzamide
  • N-(5-tert-Butyl-[1,3,4]thiadiazol-2-yl)-3-chloro-4-nitro-benzamide
  • Oprea1_211198
  • ZINC00069122
  • Oprea1_617771
  • BAS 00321838

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
Onchocerca volvulus 0.0241 0.3133 1
Plasmodium vivax hypothetical protein, conserved 0.003 0.0058 0.8498
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0069 0.0098
Mycobacterium ulcerans penicillin-binding lipoprotein 0.0704 0.9858 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0097 0.104 0.5932
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0069 0.0062
Mycobacterium leprae Probable penicillin-binding protein PbpA 0.0477 0.6556 0.6348
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0346 0.1032
Trichomonas vaginalis glucosylceramidase, putative 0.0168 0.207 0.495
Plasmodium vivax SET domain protein, putative 0.003 0.0069 1
Trichomonas vaginalis glucosylceramidase, putative 0.0177 0.2201 0.5469
Mycobacterium ulcerans penicillin-binding protein PbpA 0.0477 0.6556 0.6348
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0144 0.1713 1
Leishmania major hypothetical protein, conserved 0.0026 0 0.5
Echinococcus granulosus jumonji domain containing protein 0.0041 0.0227 0.1053
Brugia malayi jmjC domain containing protein 0.0036 0.0149 0.0445
Wolbachia endosymbiont of Brugia malayi cell division protein FtsI 0.0714 1 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0256 0.335 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0346 0.1032
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0144 0.1713 1
Echinococcus granulosus PHD finger protein rhinoceros 0.003 0.0058 0.0036
Echinococcus multilocularis lysine specific demethylase 5A 0.0036 0.0149 0.0549
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0069 0.0062
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0144 0.1713 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0069 0.0062
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0144 0.1713 1
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0 0.5
Loa Loa (eye worm) hypothetical protein 0.003 0.0069 0.0205
Trichomonas vaginalis glucosylceramidase, putative 0.0168 0.207 0.495
Loa Loa (eye worm) hypothetical protein 0.0049 0.0346 0.1032
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0149 0.0549
Trichomonas vaginalis glucosylceramidase, putative 0.0256 0.335 1
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0058 0.8498
Giardia lamblia PHD finger protein 15 0.003 0.0058 0.5
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0058 0.8498
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.0149 0.0445
Schistosoma mansoni hypothetical protein 0.0034 0.0118 0.0361
Brugia malayi Pre-SET motif family protein 0.003 0.0069 0.0205
Brugia malayi jmjC domain containing protein 0.0097 0.104 0.3105
Trichomonas vaginalis glucosylceramidase, putative 0.0168 0.207 0.495
Trichomonas vaginalis glucosylceramidase, putative 0.0168 0.207 0.495
Trichomonas vaginalis glucosylceramidase, putative 0.0256 0.335 1
Brugia malayi PHD-finger family protein 0.003 0.0058 0.0174
Mycobacterium leprae POSSIBLE PENICILLIN-BINDING LIPOPROTEIN 0.0704 0.9858 1
Echinococcus granulosus peregrin 0.003 0.0058 0.0036
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0069 0.0062
Loa Loa (eye worm) jmjC domain-containing protein 0.0061 0.0518 0.1546
Brugia malayi Pre-SET motif family protein 0.0212 0.2707 0.8082
Trichomonas vaginalis glucosylceramidase, putative 0.0256 0.335 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0069 0.0062
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0149 0.0549
Schistosoma mansoni jumonji domain containing protein 0.0077 0.075 0.4177
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0144 0.1713 0.5115
Loa Loa (eye worm) hypothetical protein 0.003 0.0058 0.0174
Trichomonas vaginalis glucosylceramidase, putative 0.0256 0.335 1
Trichomonas vaginalis glucosylceramidase, putative 0.0168 0.207 0.495
Onchocerca volvulus Glucosylceramidase homolog 0.0168 0.207 0.6542
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0097 0.104 0.5947
Treponema pallidum penicillin-binding protein (pbp-1) 0.0714 1 1
Plasmodium falciparum phd finger protein, putative 0.003 0.0058 1
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.0149 0.0582
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0144 0.1713 1
Trichomonas vaginalis glucosylceramidase, putative 0.0256 0.335 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0144 0.1713 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0144 0.1713 0.5115
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0118 0.0353
Mycobacterium tuberculosis Probable penicillin-binding protein PbpA 0.0477 0.6556 0.6348
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0212 0.2707 0.8082
Trichomonas vaginalis glucosylceramidase, putative 0.0168 0.207 0.495
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0346 0.1032
Trichomonas vaginalis glucosylceramidase, putative 0.0177 0.2201 0.5469
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0256 0.335 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0034 0.0118 0.0353
Trichomonas vaginalis set domain proteins, putative 0.0241 0.3133 0.9144
Trichomonas vaginalis glucosylceramidase, putative 0.0168 0.207 0.495
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0069 0.0062
Brugia malayi Bromodomain containing protein 0.003 0.0058 0.0174
Loa Loa (eye worm) PHD-finger family protein 0.003 0.0058 0.0174
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0069 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.0367 0.1095
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0144 0.1713 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0 0.5
Mycobacterium tuberculosis Possible penicillin-binding lipoprotein 0.0704 0.9858 1
Onchocerca volvulus 0.003 0.0069 0.0034
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.0227 0.1021
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0256 0.335 1
Mycobacterium ulcerans penicillin-binding membrane protein PbpB 0.0319 0.4259 0.3809
Treponema pallidum penicillin-binding protein (pbp-3) 0.0319 0.4259 0.375

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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