Detailed information for compound 693168

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 379.497 | Formula: C17H21N3O3S2
  • H donors: 1 H acceptors: 4 LogP: 2.1 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCc2c(C1)sc(n2)NC(=O)c1ccc(cc1)S(=O)(=O)C(C)C
  • InChi: 1S/C17H21N3O3S2/c1-11(2)25(22,23)13-6-4-12(5-7-13)16(21)19-17-18-14-8-9-20(3)10-15(14)24-17/h4-7,11H,8-10H2,1-3H3,(H,18,19,21)
  • InChiKey: OMGWLOAYSSNSOS-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
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.2002 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.2002 1
Loa Loa (eye worm) beta-lactamase 0.0035 0.0834 0.1278
Mycobacterium tuberculosis Conserved protein 0.0035 0.0834 0.0814
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0834 0.4166
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.2002 0.3067
Schistosoma mansoni inositol monophosphatase 0.0036 0.0878 0.1345
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0834 0.9486
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0878 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0834 0.1278
Onchocerca volvulus 0.0152 0.6527 1
Onchocerca volvulus 0.0035 0.0834 0.1278
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0032 0.0695 0.0675
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0834 0.9486
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0834 1
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.0878 1
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0834 0.0814
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0834 1
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.2002 0.3067
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0834 0.0814
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0878 0.4325
Loa Loa (eye worm) hypothetical protein 0.0152 0.6527 1
Mycobacterium tuberculosis Conserved protein 0.0035 0.0834 0.0814
Loa Loa (eye worm) hypothetical protein 0.0035 0.0834 0.1278
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0834 0.0814
Toxoplasma gondii ABC1 family protein 0.0035 0.0834 0.4103
Onchocerca volvulus 0.0152 0.6527 1
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0878 0.4386
Brugia malayi SEA domain containing protein 0.0152 0.6527 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0834 0.0814
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0834 0.0814
Mycobacterium ulcerans hypothetical protein 0.0035 0.0834 0.4166
Mycobacterium ulcerans beta-lactamase 0.0035 0.0834 0.4166
Onchocerca volvulus 0.0152 0.6527 1
Schistosoma mansoni hypothetical protein 0.0152 0.6527 1
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0834 0.9486
Loa Loa (eye worm) inositol-1 0.0036 0.0878 0.1345
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0834 0.1278
Loa Loa (eye worm) DOMON domain-containing protein 0.0152 0.6527 1
Onchocerca volvulus 0.0035 0.0834 0.1278
Trichomonas vaginalis esterase, putative 0.0035 0.0834 0.9486
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0878 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0878 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0021 0.0107
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0834 0.4166
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0834 0.1278
Loa Loa (eye worm) hypothetical protein 0.0035 0.0834 0.1278
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.2002 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0021 0.0107
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.0021 0.5
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0834 0.4166
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.2002 1
Loa Loa (eye worm) hypothetical protein 0.0152 0.6527 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0021 0.5
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0834 0.4166
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0834 0.1278
Loa Loa (eye worm) hypothetical protein 0.0035 0.0834 0.1278
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0878 0.4325
Brugia malayi beta-lactamase 0.0035 0.0834 0.1278
Brugia malayi beta-lactamase family protein 0.0035 0.0834 0.1278
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0878 1
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0834 0.9486
Onchocerca volvulus 0.0152 0.6527 1
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0834 0.0814
Mycobacterium ulcerans lipase LipD 0.0035 0.0834 0.4166
Onchocerca volvulus 0.0035 0.0834 0.1278
Leishmania major hypothetical protein, conserved 0.0035 0.0834 0.4103
Schistosoma mansoni ap endonuclease 0.0018 0.0021 0.0033
Schistosoma mansoni ap endonuclease 0.0018 0.0021 0.0033
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.0878 1
Brugia malayi beta-lactamase family protein 0.0035 0.0834 0.1278
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.2002 1
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.0878 0.4386
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0021 0.0033
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0834 0.9486
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0021 0.0033
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0878 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0834 0.9486
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.2002 1
Brugia malayi Muscle positioning protein 4 0.0152 0.6527 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0021 0.5
Schistosoma mansoni inositol monophosphatase 0.0036 0.0878 0.1345
Loa Loa (eye worm) hypothetical protein 0.0035 0.0834 0.1278
Mycobacterium tuberculosis Conserved protein 0.0035 0.0834 0.0814
Brugia malayi Inositol-1 0.0036 0.0878 0.1345
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0834 0.0814
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0834 0.9486
Loa Loa (eye worm) hypothetical protein 0.0035 0.0834 0.1278
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0878 0.4386
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0834 0.1278
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.2002 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.0878 1
Onchocerca volvulus 0.0152 0.6527 1
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0834 0.9486
Mycobacterium leprae Probable lipase LipE 0.0035 0.0834 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0021 0.0107
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.2002 0.1984

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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