Detailed information for compound 306655

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 218.258 | Formula: C10H14N6
  • H donors: 0 H acceptors: 3 LogP: 0.85 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCN(c2c1n1ncnc1nc2C)C
  • InChi: 1S/C10H14N6/c1-7-8-9(15(3)5-4-14(8)2)16-10(13-7)11-6-12-16/h6H,4-5H2,1-3H3
  • InChiKey: VRKAPANASRHVGW-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
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0566 0.0909
Loa Loa (eye worm) PXA domain-containing protein 0.0019 0.0127 0.0127
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0566 0.0909
Echinococcus multilocularis expressed protein 0.0369 0.9625 0.9623
Plasmodium vivax glutathione reductase, putative 0.0047 0.0881 1
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0029 0.04 0.4201
Trichomonas vaginalis regulator of G protein signaling 5, rgs5, putative 0.0019 0.0127 0.0181
Toxoplasma gondii ABC1 family protein 0.0035 0.0566 0.62
Echinococcus granulosus fucosidase alpha L 1 tissue 0.0383 1 1
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0107 0.2528 1
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0127 0.0181
Loa Loa (eye worm) hypothetical protein 0.0019 0.0127 0.0127
Mycobacterium ulcerans alpha-L-fucosidase 0.0383 1 1
Brugia malayi glutathione reductase 0.0047 0.0881 0.0881
Loa Loa (eye worm) hypothetical protein 0.0019 0.0127 0.0127
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0107 0.2506 0.8573
Echinococcus multilocularis regulator of G protein signaling 0.0019 0.0127 0.0075
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0566 0.1248
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0336 0.0336
Echinococcus multilocularis regulator of G protein signaling 3 0.0019 0.0127 0.0075
Echinococcus granulosus lamin dm0 0.0027 0.0336 0.0285
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0566 0.0566
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0029 0.04 0.4201
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0029 0.04 1
Brugia malayi hypothetical protein 0.0019 0.0127 0.0127
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0029 0.04 0.1139
Echinococcus multilocularis lamin 0.0027 0.0336 0.0285
Brugia malayi Thioredoxin reductase 0.0047 0.0881 0.0881
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.04 0.0846
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0127 0.0181
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0336 0.0336
Echinococcus multilocularis thioredoxin glutathione reductase 0.0047 0.0881 0.0833
Brugia malayi PXA domain containing protein 0.0019 0.0127 0.0127
Leishmania major trypanothione reductase 0.0047 0.0881 0.3347
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.04 0.0846
Toxoplasma gondii phosphofructokinase PFKII 0.0029 0.04 0.4201
Schistosoma mansoni lamin 0.0027 0.0336 0.0285
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0107 0.2528 0.4381
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.04 0.0846
Entamoeba histolytica phosphofructokinase, putative 0.0107 0.2528 1
Entamoeba histolytica phosphofructokinase, putative 0.0107 0.2528 1
Brugia malayi beta-lactamase family protein 0.0035 0.0566 0.0566
Loa Loa (eye worm) hypothetical protein 0.0035 0.0566 0.0566
Toxoplasma gondii thioredoxin reductase 0.0047 0.0881 1
Loa Loa (eye worm) beta-lactamase 0.0035 0.0566 0.0566
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0127 0.0181
Brugia malayi PXA domain containing protein 0.0019 0.0127 0.0127
Brugia malayi phosphofructokinase 0.0107 0.2528 0.2528
Loa Loa (eye worm) phosphofructokinase 0.0107 0.2528 0.2528
Mycobacterium ulcerans hypothetical protein 0.0035 0.0566 0.0517
Brugia malayi Regulator of G protein signaling domain containing protein 0.0019 0.0127 0.0127
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0127 0.0075
Mycobacterium tuberculosis Probable dehydrogenase 0.0107 0.2506 0.4342
Loa Loa (eye worm) glutathione reductase 0.0047 0.0881 0.0881
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0566 0.2075
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0118 0.2829 0.4913
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0127 0.0075
Echinococcus granulosus axis inhibition protein axin 0.0019 0.0127 0.0075
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.04 0.0846
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0107 0.2506 0.4342
Mycobacterium tuberculosis Conserved protein 0.0035 0.0566 0.0909
Brugia malayi hypothetical protein 0.0019 0.0127 0.0127
Trypanosoma cruzi trypanothione reductase, putative 0.0047 0.0881 0.3347
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0118 0.2829 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0127 0.0127
Plasmodium vivax 6-phosphofructokinase, putative 0.0029 0.04 0.4201
Echinococcus granulosus 6 phosphofructokinase 0.0107 0.2528 0.2489
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0566 0.0517
Echinococcus granulosus regulator of G protein signaling 7 0.0019 0.0127 0.0075
Leishmania major hypothetical protein, conserved 0.0035 0.0566 0.2075
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0224 0.5704 1
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0107 0.2528 0.8672
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0029 0.04 0.4201
Echinococcus multilocularis regulator of G protein signaling 7 0.0019 0.0127 0.0075
Echinococcus granulosus thioredoxin glutathione reductase 0.0047 0.0881 0.0833
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0336 0.0336
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0127 0.0181
Brugia malayi 6-phosphofructokinase 0.0107 0.2528 0.2528
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0107 0.2528 1
Echinococcus granulosus Regulator of G protein signaling 20 0.0019 0.0127 0.0075
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0566 0.0517
Echinococcus granulosus regulator of G protein signaling 3 0.0019 0.0127 0.0075
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0029 0.04 0.0846
Echinococcus granulosus intermediate filament protein 0.0027 0.0336 0.0285
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.0019 0.0127 0.0075
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0566 0.0909
Loa Loa (eye worm) hypothetical protein 0.0035 0.0566 0.0566
Mycobacterium tuberculosis Conserved protein 0.0035 0.0566 0.0909
Brugia malayi beta-lactamase 0.0035 0.0566 0.0566
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0029 0.04 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0566 0.1248
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0019 0.0127 0.0075
Brugia malayi regulator of G-protein signaling egl-10 0.0019 0.0127 0.0127
Echinococcus granulosus regulator of G protein signaling 3 0.0019 0.0127 0.0075
Schistosoma mansoni intermediate filament proteins 0.0027 0.0336 0.0285
Brugia malayi intermediate filament protein 0.0027 0.0336 0.0336
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0168 0.4169 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0566 0.0566
Echinococcus granulosus regulator of G protein signaling 7 0.0019 0.0127 0.0075
Loa Loa (eye worm) 6-phosphofructokinase 0.0107 0.2528 0.2528
Mycobacterium ulcerans beta-lactamase 0.0035 0.0566 0.0517
Trichomonas vaginalis phosphofructokinase, putative 0.0107 0.2528 0.6014
Schistosoma mansoni axis inhibition protein axin 0.0019 0.0127 0.0075
Echinococcus multilocularis axis inhibition protein axin 0.0019 0.0127 0.0075
Mycobacterium tuberculosis Conserved protein 0.0035 0.0566 0.0909
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0566 0.2075
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0029 0.04 1
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0566 0.1248
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0127 0.0075
Echinococcus multilocularis musashi 0.0027 0.0336 0.0285
Plasmodium vivax 6-phosphofructokinase, putative 0.0029 0.04 0.4201
Schistosoma mansoni z-protein (S1r protein) 0.0019 0.0127 0.0075
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0047 0.0881 0.1467
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0019 0.0127 0.0075
Echinococcus granulosus axis inhibition protein axin 0.0019 0.0127 0.0075
Echinococcus granulosus expressed protein 0.0369 0.9625 0.9623
Loa Loa (eye worm) 6-phosphofructokinase 0.0107 0.2528 0.2528
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0127 0.0075
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0127 0.0075
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0118 0.2829 0.4913
Plasmodium vivax thioredoxin reductase, putative 0.0047 0.0881 1
Schistosoma mansoni lamin 0.0027 0.0336 0.0285
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0107 0.2528 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0052 0.0052
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0566 0.0517
Loa Loa (eye worm) hypothetical protein 0.0019 0.0127 0.0127
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0566 0.0517
Leishmania major ATP-dependent phosphofructokinase 0.0107 0.2528 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0566 0.0566
Echinococcus multilocularis 6 phosphofructokinase 0.0107 0.2528 0.2489
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0052 0.5
Trypanosoma brucei trypanothione reductase 0.0047 0.0881 0.3347
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0566 0.0909
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.04 0.0846
Toxoplasma gondii 6-phosphofructokinase 0.0029 0.04 0.4201
Onchocerca volvulus 0.0035 0.0566 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0566 0.0517
Trichomonas vaginalis phosphofructokinase, putative 0.0107 0.2528 0.6014
Trichomonas vaginalis phosphofructokinase, putative 0.0107 0.2528 0.6014
Brugia malayi beta-lactamase family protein 0.0035 0.0566 0.0566
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0566 0.1248
Onchocerca volvulus 0.0035 0.0566 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0127 0.0127
Loa Loa (eye worm) hypothetical protein 0.0035 0.0566 0.0566
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0566 0.0517
Onchocerca volvulus 0.0035 0.0566 1
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0019 0.0127 0.0127
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.04 0.0846
Echinococcus multilocularis axis inhibition protein axin 0.0019 0.0127 0.0075
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0566 0.0909
Echinococcus multilocularis fucosidase, alpha L 1, tissue 0.0383 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0118 0.2829 0.4913
Echinococcus multilocularis Regulator of G protein signaling 20 0.0019 0.0127 0.0075
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0127 0.0075
Brugia malayi A-kinase anchor protein 10, precursor 0.0019 0.0127 0.0127
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0019 0.0127 0.0127
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0127 0.0181
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0107 0.2506 0.4342
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0566 0.0909
Echinococcus multilocularis lamin dm0 0.0027 0.0336 0.0285
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0566 0.62
Trichomonas vaginalis phosphofructokinase, putative 0.0107 0.2528 0.6014
Schistosoma mansoni 6-phosphofructokinase 0.0107 0.2528 0.2489
Schistosoma mansoni alpha-l-fucosidase 0.0383 1 1
Echinococcus granulosus beta-adrenergic receptor kinase 0.0019 0.0127 0.0075
Echinococcus multilocularis beta adrenergic receptor kinase 0.0019 0.0127 0.0075
Mycobacterium tuberculosis Probable reductase 0.0107 0.2506 0.4342
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0019 0.0127 0.0127
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0566 0.0909
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0107 0.2506 0.4342
Loa Loa (eye worm) hypothetical protein 0.0026 0.0323 0.0323
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0052 0.5
Echinococcus multilocularis regulator of G protein signaling 7 0.0019 0.0127 0.0075
Loa Loa (eye worm) RGS-3 protein 0.0019 0.0127 0.0127
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.0019 0.0127 0.0075
Schistosoma mansoni 6-phosphofructokinase 0.0107 0.2528 0.2489
Echinococcus granulosus lamin 0.0027 0.0336 0.0285
Echinococcus multilocularis regulator of G protein signaling 3 0.0019 0.0127 0.0075
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0566 0.1248
Loa Loa (eye worm) hypothetical protein 0.0027 0.0336 0.0336
Loa Loa (eye worm) hypothetical protein 0.0035 0.0566 0.0566
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0019 0.0127 0.0075
Mycobacterium ulcerans lipase LipD 0.0035 0.0566 0.0517
Trichomonas vaginalis esterase, putative 0.0035 0.0566 0.1248
Loa Loa (eye worm) thioredoxin reductase 0.0047 0.0881 0.0881
Loa Loa (eye worm) hypothetical protein 0.0019 0.0127 0.0127
Entamoeba histolytica phosphofructokinase, putative 0.0107 0.2528 1
Mycobacterium ulcerans 6-phosphofructokinase 0.0107 0.2528 0.2489
Schistosoma mansoni axis inhibition protein axin 0.0019 0.0127 0.0075
Brugia malayi regulator of G-protein signaling rgs-7 0.0019 0.0127 0.0127
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0127 0.0075
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0566 0.0566
Plasmodium falciparum glutathione reductase 0.0047 0.0881 1
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0127 0.0075
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0566 0.2075
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0107 0.2506 0.4342
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0019 0.0127 0.0127
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0029 0.04 0.1406
Brugia malayi Regulator of G protein signaling domain containing protein 0.0019 0.0127 0.0127
Plasmodium falciparum thioredoxin reductase 0.0047 0.0881 1
Loa Loa (eye worm) alpha-L-fucosidase 0.0383 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0127 0.0181
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0168 0.4169 1
Brugia malayi 6-phosphofructokinase 0.0107 0.2528 0.2528

Activities

Activity type Activity value Assay description Source Reference
HI (functional) = 25 Hypotensive index (HI) measured as the area under the time-hypotensive response curve for 6-h period at 30mg/kg,po ChEMBL. 7401118
IVP (functional) = 45 Integrated vasodilating potency (IVP) (the product of compound-induced maximum percent decrease in the perfusion pressure and the duration of the effect in minutes at 100 ug (ia)) ChEMBL. 7401118

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

1 literature reference was collected for this gene.

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