Detailed information for compound 628790

Basic information

Technical information
  • TDR Targets ID: 628790
  • Name: methyl 4-[[(4-chloro-1,3-benzothiazol-2-yl)am ino]carbamoyl]benzoate
  • MW: 361.803 | Formula: C16H12ClN3O3S
  • H donors: 2 H acceptors: 3 LogP: 4.34 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1ccc(cc1)C(=O)NNc1sc2c(n1)c(Cl)ccc2
  • InChi: 1S/C16H12ClN3O3S/c1-23-15(22)10-7-5-9(6-8-10)14(21)19-20-16-18-13-11(17)3-2-4-12(13)24-16/h2-8H,1H3,(H,18,20)(H,19,21)
  • InChiKey: FGSJGZCTIJMVNJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-[[N'-(4-chloro-1,3-benzothiazol-2-yl)hydrazino]-oxomethyl]benzoic acid methyl ester
  • 4-[[(4-chloro-1,3-benzothiazol-2-yl)amino]carbamoyl]benzoic acid methyl ester
  • ZINC04121365

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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.6102 0.6102
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0 0.5
Loa Loa (eye worm) TAR-binding protein 0.0062 1 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0 0.5
Loa Loa (eye worm) RNA binding protein 0.0062 1 1
Schistosoma mansoni tar DNA-binding protein 0.0062 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.6102 0.6102
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.6102 0.6102
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.6102 0.6102
Schistosoma mansoni tar DNA-binding protein 0.0062 1 1
Brugia malayi TAR-binding protein 0.0062 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0062 1 1
Echinococcus multilocularis tar DNA binding protein 0.0062 1 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0062 1 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0 0.5
Trichomonas vaginalis ap endonuclease, putative 0.0018 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0062 1 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0 0.5
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0 0.5
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0 0.5
Echinococcus granulosus tar DNA binding protein 0.0062 1 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.6102 0.6102
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.6102 0.6102
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.6102 0.6102
Schistosoma mansoni tar DNA-binding protein 0.0062 1 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 1 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.6102 0.6102
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.6102 0.6102
Toxoplasma gondii exonuclease III APE 0.0018 0 0.5
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0 0.5
Trichomonas vaginalis ap endonuclease, putative 0.0018 0 0.5

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.