Detailed information for compound 1894710

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 181.193 | Formula: C11H7N3
  • H donors: 0 H acceptors: 3 LogP: 1.87 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: c1ccc2c(c1)ccc1c2nncn1
  • InChi: 1S/C11H7N3/c1-2-4-9-8(3-1)5-6-10-11(9)14-13-7-12-10/h1-7H
  • InChiKey: UKAUTJFONPJELI-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
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0098 0.4755 0.566
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0025 0.0871 0.1036
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0013 0.0256 0.0679
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0013 0.0256 0.0007
Schistosoma mansoni hypothetical protein 0.0057 0.2564 0.3052
Loa Loa (eye worm) hypothetical protein 0.003 0.1142 0.1308
Trypanosoma cruzi hypothetical protein, conserved 0.0013 0.0256 0.0679
Mycobacterium tuberculosis Probable lipase LipD 0.003 0.1142 0.0945
Mycobacterium ulcerans aminopeptidase 0.0013 0.0249 0.1455
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0013 0.0256 0.0679
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0042 0.1753 0.2007
Loa Loa (eye worm) hypothetical protein 0.0016 0.0424 0.0485
Loa Loa (eye worm) prolyl oligopeptidase 0.0013 0.0256 0.0293
Loa Loa (eye worm) hypothetical protein 0.0068 0.3156 0.3614
Echinococcus multilocularis RUN 0.0016 0.0424 0.0504
Brugia malayi prolyl oligopeptidase family protein 0.0013 0.0256 0.0293
Loa Loa (eye worm) hypothetical protein 0.0043 0.1828 0.2093
Brugia malayi Pre-SET motif family protein 0.0025 0.0871 0.0997
Echinococcus granulosus lipoxygenase domain containing protein 0.0016 0.0424 0.0504
Echinococcus multilocularis xaa pro aminopeptidase 0.0024 0.0817 0.0973
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.003 0.1142 0.1308
Loa Loa (eye worm) hypothetical protein 0.0025 0.0871 0.0997
Brugia malayi bZIP transcription factor family protein 0.007 0.3257 0.3731
Brugia malayi Cytochrome P450 family protein 0.001 0.0097 0.0111
Loa Loa (eye worm) doublecortin family protein 0.0016 0.0424 0.0485
Brugia malayi beta-lactamase 0.003 0.1142 0.1308
Trichomonas vaginalis penicillin-binding protein, putative 0.003 0.1142 0.1062
Trichomonas vaginalis esterase, putative 0.003 0.1142 0.1062
Echinococcus granulosus beta LACTamase domain containing family member 0.003 0.1142 0.1359
Loa Loa (eye worm) CYP4Cod1 0.001 0.0097 0.0111
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.0013 0.0256 0.0167
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0056 0.2529 0.301
Schistosoma mansoni polycystin 1-related 0.0016 0.0424 0.0504
Entamoeba histolytica hypothetical protein, conserved 0.0013 0.0256 0.2276
Wolbachia endosymbiont of Brugia malayi Xaa-Pro aminopeptidase 0.0024 0.0817 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.003 0.1142 0.1359
Schistosoma mansoni rab6-interacting 0.0016 0.0424 0.0504
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0056 0.2529 1
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0013 0.0256 0.0304
Giardia lamblia Alanyl dipeptidyl peptidase 0.0013 0.0256 1
Loa Loa (eye worm) beta-lactamase 0.003 0.1142 0.1308
Loa Loa (eye worm) hypothetical protein 0.0016 0.0424 0.0485
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.003 0.1142 1
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0056 0.2529 1
Mycobacterium tuberculosis Probable peptidase 0.0013 0.0256 0.0007
Brugia malayi beta-lactamase family protein 0.003 0.1142 0.1308
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0025 0.0871 0.1036
Loa Loa (eye worm) latrophilin receptor protein 2 0.0013 0.025 0.0286
Echinococcus granulosus Polycystic kidney disease protein 0.0016 0.0424 0.0504
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0013 0.025 0.0297
Echinococcus granulosus xaa pro aminopeptidase 0.0024 0.0817 0.0973
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0025 0.0871 0.1036
Trypanosoma cruzi hypothetical protein, conserved 0.003 0.1142 0.4314
Schistosoma mansoni hypothetical protein 0.0013 0.025 0.0297
Brugia malayi Pre-SET motif family protein 0.0173 0.8732 1
Mycobacterium tuberculosis Conserved protein 0.003 0.1142 0.0945
Entamoeba histolytica aminopeptidase, putative 0.0024 0.0817 1
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0013 0.0256 0.0304
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0042 0.1753 0.2007
Loa Loa (eye worm) hypothetical protein 0.0013 0.025 0.0286
Trypanosoma cruzi cytochrome P450, putative 0.001 0.0097 0.0028
Trypanosoma cruzi hypothetical protein, conserved 0.0013 0.0256 0.0679
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.003 0.1142 0.0945
Loa Loa (eye worm) hypothetical protein 0.003 0.1142 0.1308
Entamoeba histolytica prolyl oligopeptidase family protein 0.0013 0.0256 0.2276
Mycobacterium ulcerans hypothetical protein 0.003 0.1142 1
Schistosoma mansoni aminopeptidase P1 (M24 family) 0.0012 0.0189 0.0225
Brugia malayi metallopeptidase family M24 containing protein 0.0024 0.0817 0.0936
Toxoplasma gondii hypothetical protein 0.0013 0.0256 0.0679
Schistosoma mansoni hypothetical protein 0.0016 0.0424 0.0504
Echinococcus granulosus histone lysine methyltransferase setb 0.0025 0.0871 0.1036
Brugia malayi prolyl oligopeptidase family protein 0.0056 0.2529 0.2896
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24, putative 0.0024 0.0817 0.2982
Brugia malayi MH2 domain containing protein 0.01 0.4819 0.5519
Entamoeba histolytica prolyl oligopeptidase family protein 0.0013 0.0256 0.2276
Mycobacterium ulcerans esterase/lipase LipP 0.003 0.1142 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0025 0.0871 0.1036
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0013 0.025 0.0286
Echinococcus granulosus prolyl endopeptidase 0.0013 0.0256 0.0304
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0025 0.0871 0.1036
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0013 0.025 0.0297
Echinococcus granulosus jun protein 0.007 0.3257 0.3877
Schistosoma mansoni hypothetical protein 0.0028 0.1057 0.1258
Schistosoma mansoni hypothetical protein 0.0013 0.025 0.0297
Trypanosoma cruzi hypothetical protein, conserved 0.003 0.1142 0.4314
Echinococcus granulosus GPCR family 2 0.0013 0.025 0.0297
Schistosoma mansoni lipoxygenase 0.0069 0.319 0.3797
Mycobacterium leprae conserved hypothetical protein 0.003 0.1142 1
Brugia malayi beta-lactamase family protein 0.003 0.1142 0.1308
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0013 0.0256 0.0679
Loa Loa (eye worm) MH2 domain-containing protein 0.01 0.4819 0.5519
Schistosoma mansoni jun-related protein 0.0057 0.2564 0.3052
Onchocerca volvulus 0.0016 0.0424 0.0424
Schistosoma mansoni loxhd1 0.0016 0.0424 0.0504
Mycobacterium ulcerans cytoplasmic peptidase PepQ 0.0013 0.0249 0.1455
Leishmania major oligopeptidase b 0.0013 0.0256 0.0679
Brugia malayi hypothetical protein 0.0016 0.0424 0.0485
Brugia malayi prolyl oligopeptidase family protein 0.0167 0.8401 0.9621
Schistosoma mansoni hypothetical protein 0.0013 0.025 0.0297
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0167 0.8401 0.8401
Brugia malayi Calcitonin receptor-like protein seb-1 0.0042 0.1753 0.2007
Trypanosoma cruzi oligopeptidase b 0.0013 0.0256 0.0679
Echinococcus multilocularis acylamino acid releasing enzyme 0.0013 0.0256 0.0304
Loa Loa (eye worm) hypothetical protein 0.003 0.1142 0.1308
Treponema pallidum aminopeptidase P 0.0024 0.0817 0.5
Mycobacterium tuberculosis Probable hydrolase 0.003 0.1142 0.0945
Echinococcus granulosus RUN 0.0016 0.0424 0.0504
Onchocerca volvulus Prolyl endopeptidase homolog 0.0013 0.0256 0.0256
Echinococcus granulosus acylamino acid releasing enzyme 0.0013 0.0256 0.0304
Mycobacterium leprae Probable lipase LipE 0.003 0.1142 1
Brugia malayi Cytochrome P450 family protein 0.001 0.0097 0.0111
Mycobacterium ulcerans dipeptidase 0.0013 0.0249 0.1455
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0167 0.8401 1
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0013 0.0256 0.0679
Echinococcus multilocularis GPCR, family 2 0.0013 0.025 0.0297
Echinococcus multilocularis xaa Pro dipeptidase 0.001 0.009 0.0107
Schistosoma mansoni hypothetical protein 0.0013 0.025 0.0297
Brugia malayi prolyl oligopeptidase family protein 0.0013 0.0256 0.0293
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0167 0.8401 1
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.0013 0.0256 0.0304
Plasmodium vivax hypothetical protein, conserved 0.003 0.1142 1
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0013 0.0256 0.1519
Plasmodium vivax SET domain protein, putative 0.0025 0.0871 0.6939
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0025 0.0871 0.3201
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0013 0.025 0.0297
Mycobacterium tuberculosis Conserved protein 0.003 0.1142 0.0945
Loa Loa (eye worm) hypothetical protein 0.0013 0.0256 0.0293
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0013 0.0256 0.2276
Brugia malayi Doublecortin family protein 0.0016 0.0424 0.0485
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.007 0.3257 0.3877
Loa Loa (eye worm) hypothetical protein 0.0017 0.0474 0.0542
Trypanosoma cruzi cytochrome P450, putative 0.001 0.0097 0.0028
Leishmania major aminopeptidase P1, putative,metallo-peptidase, Clan MG, Family M24 0.0017 0.0474 0.1572
Echinococcus multilocularis lipoxygenase domain containing protein 0.0016 0.0424 0.0504
Plasmodium vivax multidomain scavenger receptor, putative 0.0016 0.0424 0.1898
Trypanosoma brucei hypothetical protein, conserved 0.003 0.1142 0.4314
Toxoplasma gondii creatinase domain-containing protein 0.0024 0.0817 0.2982
Mycobacterium tuberculosis Probable conserved lipoprotein 0.003 0.1142 0.0945
Leishmania major hypothetical protein, conserved 0.003 0.1142 0.4314
Trypanosoma brucei Xaa-Pro aminopeptidase, putative 0.0024 0.0817 0.2982
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0013 0.0256 0.0679
Trichomonas vaginalis set domain proteins, putative 0.0197 1 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.007 0.3257 0.3877
Chlamydia trachomatis aminopeptidase P 0.0013 0.0249 0.5
Schistosoma mansoni rab6-interacting 0.0016 0.0424 0.0504
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0013 0.0256 0.0075
Giardia lamblia Alanyl dipeptidyl peptidase 0.0013 0.0256 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.003 0.1142 0.1308
Schistosoma mansoni Xaa-Pro dipeptidase (M24 family) 0.001 0.009 0.0107
Trypanosoma cruzi aminopeptidase P1, putative 0.0024 0.0817 0.2982
Toxoplasma gondii prolyl endopeptidase 0.0013 0.0256 0.0679
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0056 0.2529 1
Onchocerca volvulus 0.0013 0.0249 0.0249
Entamoeba histolytica hypothetical protein, conserved 0.0024 0.0817 0.9999
Loa Loa (eye worm) cytochrome P450 family protein 0.001 0.0097 0.0111
Trypanosoma cruzi prolyl endopeptidase 0.0013 0.0256 0.0679
Onchocerca volvulus 0.003 0.1142 0.1142
Brugia malayi hypothetical protein 0.0016 0.0424 0.0485
Echinococcus granulosus lipoxygenase domain containing protein 0.0016 0.0424 0.0504
Mycobacterium ulcerans dipeptidase PepE 0.0013 0.0249 0.1455
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0013 0.0256 0.2276
Brugia malayi hypothetical protein 0.0043 0.1828 0.2093
Echinococcus multilocularis lipoxygenase domain containing protein 0.0016 0.0424 0.0504
Plasmodium falciparum aminopeptidase P 0.0024 0.0817 1
Brugia malayi prolyl oligopeptidase family protein 0.0013 0.0256 0.0293
Echinococcus granulosus xaa Pro dipeptidase 0.001 0.009 0.0107
Trichomonas vaginalis penicillin-binding protein, putative 0.003 0.1142 0.1062
Trypanosoma brucei prolyl endopeptidase 0.0013 0.0256 0.0679
Mycobacterium tuberculosis Probable lipase LipE 0.003 0.1142 0.0945
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0056 0.2529 1
Toxoplasma gondii ABC1 family protein 0.003 0.1142 0.4314
Onchocerca volvulus 0.0055 0.2462 0.2462
Trypanosoma brucei prolyl oligopeptidase, putative 0.0013 0.0256 0.0679
Loa Loa (eye worm) hypothetical protein 0.003 0.1142 0.1308
Echinococcus granulosus Dipeptidyl peptidase 9 0.0056 0.2529 0.301
Loa Loa (eye worm) hypothetical protein 0.0013 0.0256 0.0293
Echinococcus granulosus Xaa Pro aminopeptidase 3 0.001 0.009 0.0107
Loa Loa (eye worm) hypothetical protein 0.0028 0.1057 0.1211
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0025 0.0871 0.1036
Trypanosoma brucei cytochrome P450, putative 0.001 0.0097 0.0028
Leishmania major cytochrome p450-like protein 0.001 0.0097 0.0028
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0098 0.4755 0.566
Trichomonas vaginalis D-aminoacylase, putative 0.003 0.1142 0.1062
Echinococcus multilocularis Xaa Pro aminopeptidase 3 0.001 0.009 0.0107
Loa Loa (eye worm) transcription factor SMAD2 0.01 0.4819 0.5519
Brugia malayi Latrophilin receptor protein 2 0.0013 0.025 0.0286
Loa Loa (eye worm) hypothetical protein 0.001 0.009 0.0103
Mycobacterium tuberculosis Conserved protein 0.003 0.1142 0.0945
Echinococcus granulosus xaa Pro dipeptidase 0.001 0.009 0.0107
Onchocerca volvulus Dipeptidase C homolog 0.001 0.009 0.009
Echinococcus multilocularis prolyl endopeptidase 0.0013 0.0256 0.0304
Trypanosoma cruzi oligopeptidase b 0.0013 0.0256 0.0679
Mycobacterium ulcerans lipase LipD 0.003 0.1142 1
Brugia malayi latrophilin 2 splice variant baaae 0.0028 0.1057 0.1211
Onchocerca volvulus 0.003 0.1142 0.1142
Loa Loa (eye worm) hypothetical protein 0.0042 0.1753 0.2007
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0013 0.025 0.0297
Trypanosoma brucei Alpha/beta hydrolase domain-containing protein 0.0013 0.0256 0.0679
Toxoplasma gondii acylaminoacyl-peptidase, putative 0.0013 0.0256 0.0679
Echinococcus multilocularis xaa Pro dipeptidase 0.001 0.009 0.0107
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0056 0.2529 0.301
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.003 0.1142 0.0945
Brugia malayi hypothetical protein 0.0055 0.2462 0.282
Loa Loa (eye worm) prolyl oligopeptidase 0.0167 0.8401 0.9621
Echinococcus multilocularis jun protein 0.007 0.3257 0.3877
Loa Loa (eye worm) hypothetical protein 0.003 0.1142 0.1308
Leishmania major aminopeptidase P1, putative,metallo-peptidase, Clan MG, Family M24 0.0024 0.0817 0.2982
Plasmodium falciparum LCCL domain-containing protein 0.0016 0.0424 0.2996
Onchocerca volvulus 0.003 0.1142 0.1142
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0192 0.9698 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0256 0.0293
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0167 0.8401 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0024 0.0822 0.0979
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0256 0.0167
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0056 0.2529 1
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0013 0.0256 0.0304
Trichomonas vaginalis D-aminoacylase, putative 0.003 0.1142 0.1062
Entamoeba histolytica prolyl oligopeptidase family protein 0.0013 0.0256 0.2276
Echinococcus multilocularis Polycystic kidney disease protein 0.0016 0.0424 0.0504
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0056 0.2529 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.003 0.1142 0.1359
Plasmodium vivax peptidase, putative 0.0024 0.0817 0.6335
Mycobacterium tuberculosis Probable esterase LipL 0.003 0.1142 0.0945
Onchocerca volvulus 0.0025 0.0871 0.0871
Brugia malayi metallopeptidase family M24 containing protein 0.001 0.009 0.0103
Onchocerca volvulus 0.0016 0.0424 0.0424
Trypanosoma brucei oligopeptidase b 0.0013 0.0256 0.0679
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0013 0.0256 0.0167
Loa Loa (eye worm) cytochrome P450 family protein 0.001 0.0097 0.0111
Echinococcus multilocularis beta LACTamase domain containing family member 0.003 0.1142 0.1359
Loa Loa (eye worm) hypothetical protein 0.001 0.009 0.0103
Trichomonas vaginalis D-aminoacylase, putative 0.003 0.1142 0.1062
Loa Loa (eye worm) hypothetical protein 0.003 0.1142 0.1308
Mycobacterium ulcerans beta-lactamase 0.003 0.1142 1
Schistosoma mansoni lipoxygenase 0.0098 0.4755 0.566
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0173 0.8732 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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