Detailed information for compound 789031

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 480.968 | Formula: C18H13ClN4O4S3
  • H donors: 0 H acceptors: 3 LogP: 4.01 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCS(=O)(=O)c1nsc2=NC(=O)C(=Cc3ccc(o3)Sc3ccc(cc3)Cl)C(=N)n12
  • InChi: 1S/C18H13ClN4O4S3/c1-2-30(25,26)18-22-29-17-21-16(24)13(15(20)23(17)18)9-11-5-8-14(27-11)28-12-6-3-10(19)4-7-12/h3-9,20H,2H2,1H3/b13-9-,20-15?
  • InChiKey: IULTUFDFDRCDDI-HJDDMPKESA-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
Mycobacterium tuberculosis Conserved protein 0.004 0.0596 0.0804
Brugia malayi follicle stimulating hormone receptor 0.0242 0.6974 1
Mycobacterium tuberculosis Conserved protein 0.004 0.0596 0.0804
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.015 0.2513
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.014 0.3754 0.3754
Schistosoma mansoni cellular tumor antigen P53 0.0049 0.0885 0.0885
Mycobacterium leprae Probable lipase LipE 0.004 0.0596 0.1478
Mycobacterium tuberculosis Conserved protein 0.004 0.0596 0.0804
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.015 0.2513
Schistosoma mansoni hypothetical protein 0.0338 1 1
Brugia malayi beta-lactamase 0.004 0.0596 0.0855
Loa Loa (eye worm) hypothetical protein 0.004 0.0596 0.0654
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.014 0.3754 0.3754
Loa Loa (eye worm) hypothetical protein 0.0049 0.0885 0.1078
Mycobacterium leprae conserved hypothetical protein 0.004 0.0596 0.1478
Mycobacterium tuberculosis Probable lipase LipD 0.004 0.0596 0.0804
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.004 0.0596 0.0654
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0596 1
Brugia malayi hypothetical protein 0.0073 0.1637 0.2348
Entamoeba histolytica hypothetical protein 0.0073 0.1637 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.014 0.3754 0.5281
Loa Loa (eye worm) hypothetical protein 0.004 0.0596 0.0654
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0596 1
Entamoeba histolytica hypothetical protein 0.0073 0.1637 0.5
Brugia malayi hypothetical protein 0.0026 0.015 0.0215
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0021 0 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.014 0.3754 0.3754
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.015 1
Schistosoma mansoni hypothetical protein 0.0073 0.1637 0.1637
Loa Loa (eye worm) hypothetical protein 0.004 0.0596 0.0654
Mycobacterium tuberculosis Probable hydrolase 0.004 0.0596 0.0804
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0149 0.4032 0.5442
Mycobacterium tuberculosis Probable aminotransferase 0.0149 0.4032 0.5442
Onchocerca volvulus 0.0049 0.0885 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.014 0.3754 0.5382
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.004 0.0596 0.0804
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0073 0.1637 0.1637
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0149 0.4032 1
Mycobacterium tuberculosis Probable esterase LipL 0.004 0.0596 0.0804
Mycobacterium ulcerans esterase/lipase LipP 0.004 0.0596 0.1478
Mycobacterium ulcerans hypothetical protein 0.004 0.0596 0.1478
Brugia malayi Cytochrome P450 family protein 0.0048 0.0852 0.1221
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.004 0.0596 0.1478
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.014 0.3754 0.3754
Toxoplasma gondii ABC1 family protein 0.004 0.0596 1
Mycobacterium ulcerans beta-lactamase 0.004 0.0596 0.1478
Loa Loa (eye worm) hypothetical protein 0.004 0.0596 0.0654
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0149 0.4032 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0596 0.0654
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0073 0.1637 0.1637
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.015 1
Mycobacterium ulcerans hypothetical protein 0.0149 0.4032 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.004 0.0596 0.0804
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.014 0.3754 0.3754
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0256 0.7409 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.014 0.3754 0.3754
Echinococcus multilocularis tumor protein p63 0.0336 0.9946 0.9946
Mycobacterium tuberculosis Probable lipase LipE 0.004 0.0596 0.0804
Entamoeba histolytica hypothetical protein 0.0073 0.1637 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0073 0.1637 0.1637
Mycobacterium ulcerans lipase LipD 0.004 0.0596 0.1478
Loa Loa (eye worm) cytochrome P450 family protein 0.0048 0.0852 0.1029
Brugia malayi beta-lactamase family protein 0.004 0.0596 0.0855
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.014 0.3754 0.3754
Plasmodium vivax hypothetical protein, conserved 0.004 0.0596 1
Schistosoma mansoni hypothetical protein 0.0338 1 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0596 0.0596
Echinococcus multilocularis beta LACTamase domain containing family member 0.004 0.0596 0.0596
Loa Loa (eye worm) beta-lactamase 0.004 0.0596 0.0654
Loa Loa (eye worm) hypothetical protein 0.004 0.0596 0.0654
Mycobacterium tuberculosis Probable conserved lipoprotein 0.004 0.0596 0.0804
Trypanosoma brucei hypothetical protein, conserved 0.004 0.0596 1
Brugia malayi beta-lactamase family protein 0.004 0.0596 0.0855
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0242 0.6974 1
Echinococcus granulosus beta LACTamase domain containing family member 0.004 0.0596 0.0596
Echinococcus granulosus tumor protein p63 0.0336 0.9946 0.9946
Entamoeba histolytica hypothetical protein 0.0073 0.1637 0.5
Echinococcus multilocularis geminin 0.0338 1 1
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0021 0 0.5
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.004 0.0596 0.0855
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0596 0.0596
Leishmania major hypothetical protein, conserved 0.004 0.0596 1
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0149 0.4032 1

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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