Detailed information for compound 1151942

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 168.2 | Formula: C6H12N6
  • H donors: 3 H acceptors: 2 LogP: -0.56 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1nc([nH]n1)N1CCNCC1
  • InChi: 1S/C6H12N6/c7-5-9-6(11-10-5)12-3-1-8-2-4-12/h8H,1-4H2,(H3,7,9,10,11)
  • InChiKey: WTMVZCCVRIVQJL-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 diuretic hormone 44 receptor GPRdih2 0.0054 0.0352 0.041
Brugia malayi hypothetical protein 0.0593 0.4652 0.5432
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.1264 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0171 0.1282 0.1497
Schistosoma mansoni lamin 0.0031 0.0168 0.0142
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.1084 0.8564 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0154 0.1152 0.1344
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0018 0.0068 0.0022
Schistosoma mansoni hypothetical protein 0.0186 0.1405 0.1595
Toxoplasma gondii LsmAD domain-containing protein 0.0048 0.0304 0.0258
Schistosoma mansoni dihydrofolate reductase 0.0403 0.3132 0.3623
Echinococcus granulosus lamin 0.0031 0.0168 0.0195
Brugia malayi CXXC zinc finger family protein 0.0032 0.0179 0.0209
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0018 0.0068 0.0025
Brugia malayi hypothetical protein 0.0031 0.0168 0.0196
Mycobacterium tuberculosis Probable oxidoreductase 0.0135 0.0999 0.1118
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.0168 0.0196
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0122 0.0891 0.0991
Schistosoma mansoni hypothetical protein 0.0054 0.0352 0.0358
Loa Loa (eye worm) latrophilin receptor protein 2 0.0054 0.0352 0.041
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0018 0.0068 0.0025
Loa Loa (eye worm) CYP4Cod1 0.0016 0.0047 0.0053
Mycobacterium tuberculosis Hypothetical protein 0.0593 0.4652 0.5407
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0068 0.0022
Brugia malayi Cytochrome P450 family protein 0.0016 0.0047 0.0055
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0014 0.0029 0.0034
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0154 0.1152 0.1345
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0018 0.0068 0.0022
Loa Loa (eye worm) hypothetical protein 0.0117 0.0851 0.0993
Echinococcus granulosus cytochrome P450 2K1 0.0016 0.0047 0.0053
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0018 0.0068 0.0079
Schistosoma mansoni hypothetical protein 0.0117 0.0851 0.0945
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.1264 1 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0053 0.0061
Brugia malayi intermediate filament protein 0.0031 0.0168 0.0196
Plasmodium falciparum ataxin-2 like protein, putative 0.0048 0.0304 0.0237
Trypanosoma cruzi trypanothione reductase, putative 0.0053 0.0346 0.0301
Loa Loa (eye worm) transcription factor SMAD2 0.0135 0.0994 0.116
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0068 0.0022
Trypanosoma cruzi PAB1-binding protein , putative 0.0048 0.0304 0.0258
Schistosoma mansoni hypothetical protein 0.0054 0.0352 0.0358
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0403 0.3132 0.3623
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.1084 0.8564 1
Trypanosoma cruzi trypanothione reductase, putative 0.0018 0.0068 0.0022
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0403 0.3132 0.3623
Echinococcus granulosus dihydrofolate reductase 0.0403 0.3132 0.3657
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0054 0.0352 0.0411
Brugia malayi thymidylate synthase 0.1084 0.8564 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0069 0.0469 0.0495
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0022 0.0093 0.0107
Brugia malayi hypothetical protein 0.0141 0.1043 0.1218
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0135 0.0999 0.1118
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0018 0.0068 0.0022
Echinococcus granulosus thymidylate synthase 0.1084 0.8564 1
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0014 0.0029 0.0034
Treponema pallidum NADH oxidase 0.0018 0.0068 0.5
Loa Loa (eye worm) thioredoxin reductase 0.0053 0.0346 0.0403
Trypanosoma cruzi PAB1-binding protein , putative 0.0048 0.0304 0.0258
Plasmodium falciparum glutathione reductase 0.0053 0.0346 0.028
Schistosoma mansoni hypothetical protein 0.0186 0.1405 0.1595
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0018 0.0068 0.0022
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0068 0.0022
Loa Loa (eye worm) hypothetical protein 0.0014 0.0036 0.0041
Echinococcus multilocularis dnaJ subfamily B 0.0461 0.3598 0.4201
Loa Loa (eye worm) CXXC zinc finger family protein 0.0032 0.0179 0.0208
Leishmania major hypothetical protein, conserved 0.0048 0.0304 0.0258
Echinococcus granulosus intermediate filament protein 0.0031 0.0168 0.0195
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0403 0.3132 0.3623
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0018 0.0068 0.0022
Echinococcus multilocularis 0.0016 0.0047 0.0053
Loa Loa (eye worm) hypothetical protein 0.0171 0.1282 0.1496
Schistosoma mansoni hypothetical protein 0.0022 0.0093 0.0054
Trypanosoma brucei PAB1-binding protein , putative 0.0048 0.0304 0.0258
Brugia malayi hypothetical protein 0.0048 0.0304 0.0355
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0154 0.1152 0.1297
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0015 0.004 0.0046
Loa Loa (eye worm) intermediate filament protein 0.0031 0.0168 0.0195
Onchocerca volvulus 0.0032 0.0179 0.0013
Schistosoma mansoni hypothetical protein 0.0461 0.3598 0.417
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0171 0.1282 0.1496
Echinococcus granulosus cpg binding protein 0.0034 0.0194 0.0225
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.1264 1 1
Schistosoma mansoni intermediate filament proteins 0.0031 0.0168 0.0142
Echinococcus multilocularis thioredoxin glutathione reductase 0.0053 0.0346 0.0403
Brugia malayi Cytochrome P450 family protein 0.0016 0.0047 0.0055
Chlamydia trachomatis dihydrofolate reductase 0.0403 0.3132 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.004 0.0046
Brugia malayi Cytochrome P450 family protein 0.0101 0.0724 0.0845
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0054 0.0352 0.041
Echinococcus multilocularis geminin 0.0186 0.1405 0.164
Loa Loa (eye worm) cytochrome P450 family protein 0.0016 0.0047 0.0053
Schistosoma mansoni cpg binding protein 0.0034 0.0194 0.0173
Echinococcus multilocularis cpg binding protein 0.0034 0.0194 0.0225
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0018 0.0068 0.0025
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0018 0.0068 0.5
Plasmodium vivax ataxin-2 like protein, putative 0.0048 0.0304 0.0237
Mycobacterium tuberculosis Probable reductase 0.0122 0.0891 0.0991
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0122 0.0891 0.0991
Loa Loa (eye worm) cytochrome P450 family protein 0.0101 0.0724 0.0844
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.0168 0.0195
Echinococcus multilocularis lamin dm0 0.0031 0.0168 0.0195
Echinococcus granulosus lamin dm0 0.0031 0.0168 0.0195
Brugia malayi Dihydrofolate reductase 0.0403 0.3132 0.3657
Brugia malayi dihydrofolate reductase family protein 0.0403 0.3132 0.3657
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0018 0.0068 0.008
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0154 0.1152 0.1344
Schistosoma mansoni cpg binding protein 0.0034 0.0194 0.0173
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0018 0.0068 0.0022
Loa Loa (eye worm) hypothetical protein 0.0141 0.1043 0.1217
Loa Loa (eye worm) thymidylate synthase 0.1084 0.8564 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0168 0.0195
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0068 0.0022
Echinococcus multilocularis dihydrofolate reductase 0.0403 0.3132 0.3657
Brugia malayi Latrophilin receptor protein 2 0.0054 0.0352 0.0411
Schistosoma mansoni cpg binding protein 0.0032 0.0179 0.0156
Plasmodium falciparum ataxin-2 like protein, putative 0.0048 0.0304 0.0237
Loa Loa (eye worm) cytochrome P450 0.0016 0.0047 0.0053
Toxoplasma gondii histone lysine methyltransferase SET1 0.0061 0.041 0.0365
Onchocerca volvulus 0.1084 0.8564 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0171 0.1282 0.1497
Brugia malayi MH2 domain containing protein 0.0135 0.0994 0.1161
Brugia malayi latrophilin 2 splice variant baaae 0.0117 0.0851 0.0994
Echinococcus granulosus dnaJ subfamily B 0.0461 0.3598 0.4201
Mycobacterium ulcerans thymidylate synthase 0.1084 0.8564 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0135 0.0999 0.1118
Plasmodium vivax glutathione reductase, putative 0.0053 0.0346 0.028
Onchocerca volvulus Huntingtin homolog 0.0141 0.1043 0.1042
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0018 0.0068 0.0025
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0018 0.0068 0.0025
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.1264 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0135 0.0994 0.116
Toxoplasma gondii thioredoxin reductase 0.0053 0.0346 0.0301
Brugia malayi cytochrome P450 0.0016 0.0047 0.0055
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0593 0.4652 0.4627
Loa Loa (eye worm) hypothetical protein 0.003 0.0164 0.019
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0154 0.1152 0.1344
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0018 0.0068 0.0079
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0122 0.0891 0.0991
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0015 0.004 0.0046
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0018 0.0068 0.0022
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0053 0.0346 0.0352
Echinococcus granulosus GPCR family 2 0.0054 0.0352 0.041
Giardia lamblia NADH oxidase lateral transfer candidate 0.0018 0.0068 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0593 0.4652 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0018 0.0068 0.0022
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0022 0.0093 0.0107
Schistosoma mansoni hypothetical protein 0.0054 0.0352 0.0358
Loa Loa (eye worm) glutathione reductase 0.0053 0.0346 0.0403
Echinococcus multilocularis musashi 0.0031 0.0168 0.0195
Loa Loa (eye worm) cytochrome P450 family protein 0.0016 0.0047 0.0053
Plasmodium vivax thioredoxin reductase, putative 0.0053 0.0346 0.028
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0122 0.0891 0.0991
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0054 0.0352 0.041
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0018 0.0068 0.0022
Loa Loa (eye worm) hypothetical protein 0.0048 0.0304 0.0354
Toxoplasma gondii NADPH-glutathione reductase 0.0018 0.0068 0.0022
Leishmania major trypanothione reductase 0.0053 0.0346 0.0301
Echinococcus granulosus geminin 0.0186 0.1405 0.164
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0018 0.0068 0.0022
Schistosoma mansoni lamin 0.0031 0.0168 0.0142
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0154 0.1152 0.1344
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0054 0.0352 0.041
Loa Loa (eye worm) hypothetical protein 0.0141 0.1043 0.1217
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0135 0.0999 0.1118
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0053 0.0062
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0068 0.0022
Trypanosoma brucei trypanothione reductase 0.0053 0.0346 0.0301
Echinococcus multilocularis GPCR, family 2 0.0054 0.0352 0.041
Plasmodium falciparum thioredoxin reductase 0.0053 0.0346 0.028
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0154 0.1152 0.1344
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0122 0.0891 0.0991
Echinococcus granulosus thioredoxin glutathione reductase 0.0053 0.0346 0.0403
Schistosoma mansoni hypothetical protein 0.0054 0.0352 0.0358
Loa Loa (eye worm) hypothetical protein 0.0054 0.0352 0.041
Mycobacterium tuberculosis Probable dehydrogenase 0.0122 0.0891 0.0991
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0154 0.1152 0.1297
Echinococcus multilocularis thymidylate synthase 0.1084 0.8564 1
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.1264 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0154 0.1152 0.1297
Brugia malayi Thioredoxin reductase 0.0053 0.0346 0.0404
Onchocerca volvulus Huntingtin homolog 0.0141 0.1043 0.1042
Brugia malayi glutathione reductase 0.0053 0.0346 0.0404
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.1084 0.8564 1
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0018 0.0068 0.0022
Echinococcus multilocularis lamin 0.0031 0.0168 0.0195
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0068 0.0022
Loa Loa (eye worm) dihydrofolate reductase 0.0403 0.3132 0.3657
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0018 0.0068 0.5
Loa Loa (eye worm) hypothetical protein 0.0014 0.0036 0.0041
Brugia malayi Cytochrome P450 family protein 0.0016 0.0047 0.0055

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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