Detailed information for compound 1008546

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 482.34 | Formula: C19H17Cl2N5O4S
  • H donors: 2 H acceptors: 5 LogP: 4.47 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-][N+](=O)c1ccc2c(c1)[nH]c1c(c2=Nc2ccc(nc2)NS(=O)(=O)C)cccc1.Cl.Cl
  • InChi: 1S/C19H15N5O4S.2ClH/c1-29(27,28)23-18-9-6-12(11-20-18)21-19-14-4-2-3-5-16(14)22-17-10-13(24(25)26)7-8-15(17)19;;/h2-11H,1H3,(H,20,23)(H,21,22);2*1H
  • InChiKey: WJQXYIXBLFOHDG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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 0.0038 0.0293 0.035
Onchocerca volvulus 0.0038 0.0293 0.0437
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.008 0.0935 0.0935
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.0293 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0658 0.1454
Brugia malayi RNA binding protein 0.0062 0.0658 0.1434
Loa Loa (eye worm) hypothetical protein 0.0038 0.0293 0.0373
Schistosoma mansoni cellular tumor antigen P53 0.01 0.1231 0.4281
Onchocerca volvulus 0.01 0.1231 0.391
Echinococcus granulosus intermediate filament protein 0.003 0.0175 0.0175
Mycobacterium tuberculosis Possible penicillin-binding protein 0.024 0.3341 1
Echinococcus multilocularis glycogen phosphorylase 0.0209 0.2875 0.2875
Echinococcus granulosus glycogen phosphorylase 0.0209 0.2875 0.2875
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0277 0.0965
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0658 0.1454
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0293 0.5
Trichomonas vaginalis glycogen phosphorylase, putative 0.0209 0.2875 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0277 0.0277
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0293 0.1018
Onchocerca volvulus Glycogen phosphorylase homolog 0.0209 0.2875 1
Mycobacterium ulcerans glycogen phosphorylase GlgP 0.009 0.1088 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.008 0.0935 0.0935
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.0306 0.5
Echinococcus multilocularis lamin 0.003 0.0175 0.0175
Brugia malayi beta-lactamase family protein 0.0038 0.0293 0.035
Entamoeba histolytica glycogen phosphorylase, putative 0.0209 0.2875 1
Schistosoma mansoni lamin 0.003 0.0175 0.0608
Mycobacterium tuberculosis Probable esterase LipL 0.0038 0.0293 0.0876
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0293 0.1018
Schistosoma mansoni lamin 0.003 0.0175 0.0608
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.0358 0.1246
Echinococcus granulosus tar DNA binding protein 0.0062 0.0658 0.0658
Mycobacterium leprae conserved hypothetical protein 0.0038 0.0293 1
Mycobacterium tuberculosis Conserved protein 0.0038 0.0293 0.0876
Giardia lamblia Glycogen phosphorylase 0.0209 0.2875 1
Mycobacterium tuberculosis Probable lipase LipE 0.0038 0.0293 0.0876
Brugia malayi carbohydrate phosphorylase 0.0209 0.2875 0.8016
Echinococcus multilocularis GPCR, family 2 0.008 0.0935 0.0935
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0293 0.1018
Schistosoma mansoni hypothetical protein 0.008 0.0935 0.3251
Loa Loa (eye worm) MH2 domain-containing protein 0.0248 0.3461 0.9756
Onchocerca volvulus 0.0038 0.0293 0.0437
Loa Loa (eye worm) hypothetical protein 0.0038 0.0293 0.0373
Loa Loa (eye worm) hypothetical protein 0.0173 0.2336 0.6424
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.0293 0.0293
Mycobacterium ulcerans esterase/lipase LipP 0.0038 0.0293 0.269
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.0358 1
Schistosoma mansoni hypothetical protein 0.008 0.0935 0.3251
Echinococcus granulosus GPCR family 2 0.008 0.0935 0.0935
Schistosoma mansoni intermediate filament proteins 0.003 0.0175 0.0608
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.0358 1
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.0306 0.0108
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.0293 0.035
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0658 0.2288
Echinococcus granulosus glycogen phosphorylase 0.0209 0.2875 0.2875
Loa Loa (eye worm) intermediate filament protein 0.003 0.0175 0.0024
Schistosoma mansoni glycogen phosphorylase 0.009 0.1088 0.3785
Loa Loa (eye worm) RNA binding protein 0.0062 0.0658 0.1454
Trichomonas vaginalis glycogen phosphorylase, putative 0.0209 0.2875 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0038 0.0293 0.269
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0253 0.3544 1
Mycobacterium ulcerans hypothetical protein 0.0038 0.0293 0.269
Loa Loa (eye worm) transcription factor SMAD2 0.0248 0.3461 0.9756
Echinococcus multilocularis lamin dm0 0.003 0.0175 0.0175
Echinococcus granulosus lamin dm0 0.003 0.0175 0.0175
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0658 0.0658
Brugia malayi MH2 domain containing protein 0.0248 0.3461 0.9755
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0293 0.1018
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0658 0.1434
Treponema pallidum bacterioferrin (TpF1) 0.0018 0 0.5
Echinococcus multilocularis Glycosyl transferase, family 35 0.0209 0.2875 0.2875
Echinococcus granulosus histone acetyltransferase KAT2B 0.0138 0.1813 0.1813
Loa Loa (eye worm) latrophilin receptor protein 2 0.008 0.0935 0.2274
Entamoeba histolytica glycogenphosphorylase, putative 0.009 0.1088 0.3121
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.0293 0.0293
Echinococcus granulosus lamin 0.003 0.0175 0.0175
Brugia malayi hypothetical protein 0.0037 0.0277 0.0305
Schistosoma mansoni hypothetical protein 0.008 0.0935 0.3251
Brugia malayi acetyltransferase, GNAT family protein 0.0142 0.1873 0.5041
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0038 0.0293 0.0876
Entamoeba histolytica glycogen phosphorylase, putative 0.0209 0.2875 1
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0142 0.1873 0.6515
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0658 0.2288
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0293 0.1018
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0658 0.2288
Mycobacterium tuberculosis Conserved protein 0.0038 0.0293 0.0876
Trichomonas vaginalis esterase, putative 0.0038 0.0293 0.1018
Brugia malayi Latrophilin receptor protein 2 0.008 0.0935 0.2256
Schistosoma mansoni glycogen phosphorylase 0.0209 0.2875 1
Mycobacterium tuberculosis Probable glycogen phosphorylase GlgP 0.009 0.1088 0.3257
Schistosoma mansoni hypothetical protein 0.008 0.0935 0.3251
Entamoeba histolytica glycogen phosphorylase, putative 0.009 0.1088 0.3121
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0038 0.0293 0.0876
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0658 0.2288
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0277 0.0277
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0293 0.5
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.0358 0.1246
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.0358 1
Mycobacterium tuberculosis Conserved protein 0.0038 0.0293 0.0876
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.008 0.0935 0.0935
Mycobacterium tuberculosis Probable hydrolase 0.0038 0.0293 0.0876
Loa Loa (eye worm) acetyltransferase 0.0142 0.1873 0.5053
Mycobacterium ulcerans beta-lactamase 0.0038 0.0293 0.269
Mycobacterium ulcerans lipase LipD 0.0038 0.0293 0.269
Loa Loa (eye worm) beta-lactamase 0.0038 0.0293 0.0373
Loa Loa (eye worm) hypothetical protein 0.0038 0.0293 0.0373
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0142 0.1873 0.1873
Loa Loa (eye worm) hypothetical protein 0.0038 0.0293 0.0373
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0658 0.2288
Brugia malayi latrophilin 2 splice variant baaae 0.0173 0.2336 0.6415
Schistosoma mansoni hypothetical protein 0.0173 0.2336 0.8125
Loa Loa (eye worm) hypothetical protein 0.01 0.1231 0.3151
Onchocerca volvulus 0.0038 0.0293 0.0437
Loa Loa (eye worm) hypothetical protein 0.008 0.0935 0.2274
Mycobacterium leprae Probable lipase LipE 0.0038 0.0293 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.0293 0.0373
Mycobacterium tuberculosis Probable lipase LipD 0.0038 0.0293 0.0876
Schistosoma mansoni glycogen phosphorylase 0.0209 0.2875 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0293 0.0373
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0038 0.0293 0.0876
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.008 0.0935 0.2256
Brugia malayi TAR-binding protein 0.0062 0.0658 0.1434
Schistosoma mansoni hypothetical protein 0.0037 0.0277 0.0965
Loa Loa (eye worm) glycogen phosphorylase 0.0209 0.2875 0.8021
Leishmania major hypothetical protein, conserved 0.0038 0.0293 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.008 0.0935 0.0935
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.0175 0.0024
Entamoeba histolytica glycogen phosphorylase, putative 0.009 0.1088 0.3121
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0293 0.1018
Chlamydia trachomatis glycogen phosphorylase 0.0209 0.2875 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0293 0.1018
Brugia malayi Calcitonin receptor-like protein seb-1 0.0253 0.3544 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0175 0.0024
Echinococcus multilocularis musashi 0.003 0.0175 0.0175
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0253 0.3544 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.0358 0.0358
Echinococcus multilocularis tumor protein p63 0.0682 1 1
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0018 0 0.5
Brugia malayi beta-lactamase 0.0038 0.0293 0.035
Echinococcus multilocularis glycogen phosphorylase 0.0209 0.2875 0.2875
Loa Loa (eye worm) hypothetical protein 0.0253 0.3544 1
Echinococcus granulosus Glycosyl transferase family 35 0.0209 0.2875 0.2875
Loa Loa (eye worm) hypothetical protein 0.0038 0.0293 0.0373

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.