Detailed information for compound 1658809

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 369.353 | Formula: C21H13N4O3+
  • H donors: 0 H acceptors: 5 LogP: 1.86 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1c2c(noc2C(=O)c2c1cccc2)c1cc[n+](cc1)Cc1cnccn1
  • InChi: 1S/C21H13N4O3/c26-19-15-3-1-2-4-16(15)20(27)21-17(19)18(24-28-21)13-5-9-25(10-6-13)12-14-11-22-7-8-23-14/h1-11H,12H2/q+1
  • InChiKey: JEHHTVULAZQYLM-UHFFFAOYSA-N  


Substructure search Similarity search

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
Trypanosoma cruzi prolyl endopeptidase 0.0273 0.4659 1
Trypanosoma brucei oligopeptidase b 0.0108 0.1684 0.3615
Leishmania major oligopeptidase b 0.0108 0.1684 0.3615
Entamoeba histolytica hypothetical protein 0.0033 0.0319 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.008 0.1162 0.2495
Echinococcus granulosus Dipeptidyl peptidase 9 0.0029 0.0238 0.0238
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.008 0.1162 0.1162
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0017 0.0026 0.0056
Brugia malayi hypothetical protein 0.0033 0.0319 0.0684
Echinococcus granulosus muscleblind protein 0.0123 0.1945 0.1945
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0017 0.0026 0.0026
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0029 0.0238 0.0238
Loa Loa (eye worm) fli-1 protein 0.0202 0.3378 0.7252
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0108 0.1684 0.4441
Schistosoma mansoni memapsin-2 (A01 family) 0.0421 0.7349 0.7349
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0108 0.1684 0.3615
Echinococcus multilocularis microtubule associated protein 2 0.0567 1 1
Echinococcus multilocularis prolyl endopeptidase 0.0273 0.4659 0.4659
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.008 0.1162 0.1162
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0273 0.4659 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0017 0.0026 0.0026
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0029 0.0238 0.0238
Plasmodium falciparum plasmepsin II 0.0017 0.0026 0.1103
Echinococcus multilocularis acylamino acid releasing enzyme 0.0029 0.0238 0.0238
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0017 0.0026 0.0069
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0273 0.4659 0.4659
Entamoeba histolytica prolyl oligopeptidase family protein 0.0029 0.0238 0.7467
Brugia malayi glutaminase DH11.1 0.0225 0.3792 0.814
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0017 0.0026 0.0026
Plasmodium vivax aspartyl proteinase, putative 0.0017 0.0026 0.1103
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0017 0.0026 0.0026
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0084 0.1246 0.1246
Schistosoma mansoni hypothetical protein 0.0187 0.3103 0.3103
Loa Loa (eye worm) hypothetical protein 0.0029 0.0238 0.0511
Trypanosoma brucei Alpha/beta hydrolase domain-containing protein 0.0029 0.0238 0.0511
Plasmodium vivax aspartyl protease, putative 0.0017 0.0026 0.1103
Brugia malayi prolyl oligopeptidase family protein 0.0029 0.0238 0.0511
Loa Loa (eye worm) glutaminase 0.0225 0.3792 0.814
Giardia lamblia Alanyl dipeptidyl peptidase 0.0029 0.0238 1
Plasmodium falciparum plasmepsin VI 0.0017 0.0026 0.1103
Loa Loa (eye worm) aspartic protease BmAsp-1 0.0017 0.0026 0.0056
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0056 0.0737 0.0737
Brugia malayi MH2 domain containing protein 0.0098 0.1498 0.3216
Loa Loa (eye worm) hypothetical protein 0.0017 0.0026 0.0056
Echinococcus multilocularis geminin 0.0187 0.3103 0.3103
Brugia malayi prolyl oligopeptidase family protein 0.0273 0.4659 1
Schistosoma mansoni glutaminase 0.0225 0.3792 0.3792
Schistosoma mansoni cathepsin D (A01 family) 0.0017 0.0026 0.0026
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.008 0.1162 0.1162
Brugia malayi Fli-1 protein 0.0202 0.3378 0.7252
Echinococcus granulosus GA binding protein alpha chain 0.0067 0.0925 0.0925
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0108 0.1684 0.3615
Mycobacterium ulcerans glutaminase 0.0225 0.3792 1
Plasmodium falciparum plasmepsin I 0.0017 0.0026 0.1103
Schistosoma mansoni cathepsin D (A01 family) 0.0017 0.0026 0.0026
Mycobacterium tuberculosis Probable peptidase 0.0108 0.1684 0.4067
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0084 0.1246 0.1246
Schistosoma mansoni microtubule-associated protein tau 0.0567 1 1
Plasmodium falciparum plasmepsin VIII, putative 0.0017 0.0026 0.1103
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.008 0.1162 0.1162
Trypanosoma brucei prolyl oligopeptidase, putative 0.0108 0.1684 0.3615
Trichomonas vaginalis glutaminase, putative 0.0225 0.3792 1
Schistosoma mansoni ets-related 0.0202 0.3378 0.3378
Brugia malayi hypothetical protein 0.0017 0.0026 0.0056
Trypanosoma cruzi oligopeptidase b 0.0108 0.1684 0.3615
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0029 0.0238 0.0511
Loa Loa (eye worm) hypothetical protein 0.0017 0.0026 0.0056
Trypanosoma brucei prolyl endopeptidase 0.0273 0.4659 1
Plasmodium falciparum plasmepsin IX 0.0017 0.0026 0.1103
Plasmodium vivax plasmepsin IV, putative 0.0017 0.0026 0.1103
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0017 0.0026 0.0056
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0029 0.0238 0.0511
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.008 0.1162 0.1162
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.008 0.1162 0.2495
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.008 0.1162 0.1162
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0084 0.1246 0.1246
Schistosoma mansoni gabp alpha 0.0067 0.0925 0.0925
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0056 0.0737 0.1944
Plasmodium falciparum plasmepsin X 0.0017 0.0026 0.1103
Plasmodium falciparum peptidase, putative 0.0029 0.0238 1
Trypanosoma cruzi hypothetical protein, conserved 0.0029 0.0238 0.0511
Entamoeba histolytica prolyl oligopeptidase family protein 0.0029 0.0238 0.7467
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0029 0.0238 0.0511
Loa Loa (eye worm) hypothetical protein 0.0123 0.1945 0.4175
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0238 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0017 0.0026 0.0026
Brugia malayi prolyl oligopeptidase family protein 0.0029 0.0238 0.0511
Brugia malayi Muscleblind-like protein 0.0123 0.1945 0.4175
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0033 0.0319 0.0319
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0108 0.1684 0.3615
Entamoeba histolytica prolyl oligopeptidase family protein 0.0029 0.0238 0.7467
Brugia malayi Melibiase family protein 0.0056 0.0737 0.1583
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.0029 0.0238 0.0627
Toxoplasma gondii aspartyl protease ASP1 0.0017 0.0026 0.0056
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0017 0.0026 0.0026
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0108 0.1684 0.3615
Brugia malayi Ets-domain containing protein 0.0067 0.0925 0.1985
Trypanosoma cruzi hypothetical protein, conserved 0.0029 0.0238 0.0511
Loa Loa (eye worm) aspartyl protease 6 0.0017 0.0026 0.0056
Plasmodium falciparum plasmepsin V 0.0017 0.0026 0.1103
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0238 0.0627
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0056 0.0737 0.0737
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0084 0.1246 0.1246
Toxoplasma gondii aspartyl protease 0.0017 0.0026 0.0056
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0017 0.0026 0.0026
Echinococcus multilocularis GA binding protein alpha chain 0.0067 0.0925 0.0925
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0244 0.4141 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0026 0.0056
Loa Loa (eye worm) MH2 domain-containing protein 0.0098 0.1498 0.3216
Brugia malayi prolyl oligopeptidase family protein 0.0029 0.0238 0.0511
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0029 0.0238 0.0238
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0017 0.0026 0.0026
Loa Loa (eye worm) hypothetical protein 0.0123 0.1945 0.4175
Echinococcus granulosus acylamino acid releasing enzyme 0.0029 0.0238 0.0238
Loa Loa (eye worm) glutaminase 2 0.0225 0.3792 0.814
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0273 0.4659 0.4659
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0029 0.0238 0.7467
Brugia malayi Eukaryotic aspartyl protease family protein 0.0017 0.0026 0.0056
Treponema pallidum exodeoxyribonuclease (exoA) 0.0015 0 0.5
Toxoplasma gondii melibiase subfamily protein 0.0084 0.1246 0.2674
Entamoeba histolytica hypothetical protein 0.0033 0.0319 1
Echinococcus multilocularis muscleblind protein 1 0.0123 0.1945 0.1945
Plasmodium falciparum plasmepsin VII 0.0017 0.0026 0.1103
Toxoplasma gondii hypothetical protein 0.0029 0.0238 0.0511
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0017 0.0026 0.0026
Loa Loa (eye worm) transcription factor SMAD2 0.0098 0.1498 0.3216
Brugia malayi Ets-domain containing protein 0.0067 0.0925 0.1985
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0084 0.1246 0.1246
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0067 0.0925 0.1985
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0108 0.1684 0.5
Brugia malayi aspartic protease BmAsp-1, identical 0.0017 0.0026 0.0056
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0029 0.0238 0.7467
Entamoeba histolytica hypothetical protein 0.0033 0.0319 1
Brugia malayi aspartic protease BmAsp-2, identical 0.0017 0.0026 0.0056
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0029 0.0238 0.0457
Plasmodium vivax plasmepsin V, putative 0.0017 0.0026 0.1103
Loa Loa (eye worm) prolyl oligopeptidase 0.0029 0.0238 0.0511
Entamoeba histolytica hypothetical protein, conserved 0.0029 0.0238 0.7467
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0029 0.0238 0.0511
Loa Loa (eye worm) hypothetical protein 0.0273 0.4659 1
Plasmodium falciparum plasmepsin III 0.0017 0.0026 0.1103
Loa Loa (eye worm) hypothetical protein 0.0029 0.0238 0.0511
Plasmodium falciparum plasmepsin IV 0.0017 0.0026 0.1103
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.0029 0.0238 0.0238
Trypanosoma cruzi oligopeptidase b 0.0108 0.1684 0.3615
Brugia malayi hypothetical protein 0.0017 0.0026 0.0056
Toxoplasma gondii acylaminoacyl-peptidase, putative 0.0029 0.0238 0.0511
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0084 0.1246 0.1246
Entamoeba histolytica hypothetical protein 0.0033 0.0319 1
Echinococcus granulosus geminin 0.0187 0.3103 0.3103
Toxoplasma gondii eukaryotic aspartyl protease superfamily protein 0.0017 0.0026 0.0056
Loa Loa (eye worm) hypothetical protein 0.0056 0.0737 0.1583
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0017 0.0026 0.0026
Brugia malayi prolyl oligopeptidase family protein 0.0029 0.0238 0.0511
Schistosoma mansoni hypothetical protein 0.0033 0.0319 0.0319
Plasmodium vivax aspartyl proteinase, putative 0.0017 0.0026 0.1103
Onchocerca volvulus Prolyl endopeptidase homolog 0.0273 0.4659 1
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0029 0.0238 0.0238
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0017 0.0026 0.0026
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0108 0.1684 0.4067
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0029 0.0238 0.0511
Echinococcus multilocularis muscleblind protein 0.0123 0.1945 0.1945
Loa Loa (eye worm) prolyl oligopeptidase 0.0029 0.0238 0.0511
Schistosoma mansoni hypothetical protein 0.0187 0.3103 0.3103
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0029 0.0238 0.0627
Echinococcus granulosus prolyl endopeptidase 0.0273 0.4659 0.4659
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0029 0.0238 0.0511
Giardia lamblia Alanyl dipeptidyl peptidase 0.0029 0.0238 1
Schistosoma mansoni transcription factor LCR-F1 0.0033 0.0319 0.0319
Plasmodium vivax aspartyl protease, putative 0.0017 0.0026 0.1103
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0029 0.0238 0.0238
Toxoplasma gondii prolyl endopeptidase 0.0273 0.4659 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0033 0.0319 0.0319
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.008 0.1162 0.1162
Brugia malayi Pepsin A precursor 0.0017 0.0026 0.0056
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0029 0.0238 0.0238
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0015 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0057 0.075 0.161
Toxoplasma gondii aspartyl protease ASP3 0.0017 0.0026 0.0056
Plasmodium vivax aspartyl protease, putative 0.0017 0.0026 0.1103
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0084 0.1246 0.1246

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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