Detailed information for compound 1789937

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 393.322 | Formula: C15H14N4O2SSe
  • H donors: 0 H acceptors: 5 LogP: 3.18 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)S(=O)(=O)n1nnnc1[Se]c1ccccc1C
  • InChi: 1S/C15H14N4O2SSe/c1-11-7-9-13(10-8-11)22(20,21)19-15(16-17-18-19)23-14-6-4-3-5-12(14)2/h3-10H,1-2H3
  • InChiKey: YRWKMZCOBCJBDD-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

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
Brugia malayi beta-lactamase family protein 0.0044 0.0137 0.1349
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1149 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0056 0.0242 0.0184
Loa Loa (eye worm) hypothetical protein 0.0659 0.5625 0.5599
Loa Loa (eye worm) hypothetical protein 0.0044 0.0137 0.0078
Echinococcus multilocularis beta LACTamase domain containing family member 0.0044 0.0137 0.0078
Trichomonas vaginalis esterase, putative 0.0044 0.0137 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0044 0.0137 0.0078
Leishmania major hypothetical protein, conserved 0.0044 0.0137 0.0137
Echinococcus multilocularis 6 phosphofructo 2 kinase:fructose 2 0.1149 1 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.0137 0.0078
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0056 0.0242 0.0184
Giardia lamblia Hypothetical protein 0.0678 0.5798 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0044 0.0137 1
Trypanosoma brucei hypothetical protein, conserved 0.0044 0.0137 0.0078
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0056 0.0242 0.0184
Giardia lamblia Hypothetical protein 0.0678 0.5798 0.5
Brugia malayi RNA, U transporter 1 0.01 0.0635 1
Echinococcus multilocularis snurportin 1 0.0374 0.3082 0.3041
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.049 0.4122 0.4122
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0044 0.0137 0.1349
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.113 0.9827 0.9827
Plasmodium vivax hypothetical protein, conserved 0.0044 0.0137 1
Trypanosoma brucei 6-phosphofructo-2-kinase 2 0.113 0.9827 0.9826
Echinococcus granulosus snurportin 1 0.0374 0.3082 0.3041
Loa Loa (eye worm) hypothetical protein 0.0044 0.0137 0.0078
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0279 0.2239 1
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.113 0.9827 0.9827
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein 0.049 0.4122 0.4122
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0056 0.0242 0.0184
Brugia malayi beta-lactamase family protein 0.0044 0.0137 0.1349
Loa Loa (eye worm) hypothetical protein 0.0044 0.0137 0.0078
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.049 0.4122 0.4087
Loa Loa (eye worm) hypothetical protein 0.0044 0.0137 0.0078
Trichomonas vaginalis D-aminoacylase, putative 0.0044 0.0137 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0044 0.0137 0.0078
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0137 0.0137
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0056 0.0242 0.0184
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1149 1 1
Toxoplasma gondii ABC1 family protein 0.0044 0.0137 1
Schistosoma mansoni 6-phosphofructokinase 0.1149 1 1
Mycobacterium ulcerans hypothetical protein 0.0678 0.5798 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0056 0.0242 0.0184
Loa Loa (eye worm) hypothetical protein 0.113 0.9827 0.9826
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.049 0.4122 0.4122
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.113 0.9827 0.9827
Mycobacterium leprae Probable lipase LipE 0.0044 0.0137 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0056 0.0242 0.0184
Plasmodium falciparum importin beta, putative 0.0035 0.0059 0.5
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1149 1 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0044 0.0137 1
Mycobacterium leprae conserved hypothetical protein 0.0044 0.0137 0.5
Loa Loa (eye worm) beta-lactamase 0.0044 0.0137 0.0078
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0056 0.0242 0.318
Loa Loa (eye worm) hypothetical protein 0.0044 0.0137 0.0078
Schistosoma mansoni hypothetical protein 0.0374 0.3082 0.3041
Brugia malayi beta-lactamase 0.0044 0.0137 0.1349
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0056 0.0242 0.0184
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.0678 0.5798 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0044 0.0137 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0044 0.0137 0.0078
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0137 0.0137
Mycobacterium ulcerans fructose-2,6-bisphosphatase GpmB 0.0678 0.5798 1
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1149 1 1
Loa Loa (eye worm) hypothetical protein 0.1149 1 1
Trichomonas vaginalis D-aminoacylase, putative 0.0044 0.0137 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0374 0.3082 0.3041
Onchocerca volvulus 0.1149 1 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0044 0.0137 0.0078

Activities

Activity type Activity value Assay description Source Reference
IZ (functional) = 5.4 mm Antimicrobial activity against Escherichia coli ATCC 11230 at 25 ug/disk measured after overnight incubation by disk diffusion method ChEMBL. No reference

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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