Detailed information for compound 2068431

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 210.233 | Formula: C9H14N4O2
  • H donors: 0 H acceptors: 3 LogP: -0.34 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(n1ncnc1)C(=O)N1CCOCC1
  • InChi: 1S/C9H14N4O2/c1-8(13-7-10-6-11-13)9(14)12-2-4-15-5-3-12/h6-8H,2-5H2,1H3
  • InChiKey: AUEFAYIJONZWAU-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
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0018 0.0397 0.2803
Onchocerca volvulus 0.0029 0.0745 1
Onchocerca volvulus 0.0029 0.0745 1
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0023 0.0556 0.393
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0014 0.0286 0.0286
Schistosoma mansoni lamin 0.0029 0.0745 0.0745
Plasmodium vivax thioredoxin reductase, putative 0.0052 0.1415 1
Loa Loa (eye worm) carboxylesterase 0.0017 0.0357 0.0357
Onchocerca volvulus 0.0017 0.0357 0.4793
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0118 0.3411 0.8958
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0018 0.0397 0.2803
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0397 0.2803
Echinococcus multilocularis importin subunit beta 1 0.0031 0.0807 0.0807
Loa Loa (eye worm) hypothetical protein 0.0017 0.0357 0.0357
Trichomonas vaginalis hypothetical protein 0.0006 0.0036 0.058
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0118 0.3411 0.8958
Echinococcus multilocularis ankyrin repeat protein 0.0192 0.5653 0.5653
Loa Loa (eye worm) kap beta 3 protein 0.0006 0.0036 0.0036
Echinococcus multilocularis translational activator gcn1 0.0006 0.0036 0.0036
Loa Loa (eye worm) hypothetical protein 0.0031 0.0807 0.0807
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0069 0.1944 0.1944
Echinococcus granulosus neuroligin 0.0017 0.0357 0.0357
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0018 0.0397 0.2803
Mycobacterium ulcerans carboxylesterase, LipT 0.0017 0.0357 0.9007
Echinococcus multilocularis acetylcholinesterase 0.0098 0.2819 0.2819
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.0627 1
Echinococcus granulosus importin subunit beta 1 0.0031 0.0807 0.0807
Schistosoma mansoni ran 0.0023 0.0556 0.0556
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0018 0.0397 1
Schistosoma mansoni tar DNA-binding protein 0.0069 0.1944 0.1944
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0018 0.0397 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0131 0.3808 1
Echinococcus multilocularis lamin dm0 0.0029 0.0745 0.0745
Echinococcus multilocularis thioredoxin glutathione reductase 0.0052 0.1415 0.1415
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0018 0.0397 0.0397
Onchocerca volvulus 0.0017 0.0357 0.4793
Plasmodium falciparum transportin 0.0006 0.0036 0.0257
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0255 0.7567 0.7567
Loa Loa (eye worm) hypothetical protein 0.0017 0.0357 0.0357
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0013 0.0253 0.0335
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.0627 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0098 0.2819 0.2819
Brugia malayi Carboxylesterase family protein 0.0017 0.0357 0.0472
Schistosoma mansoni neuroligin 3 (S09 family) 0.0017 0.0357 0.0357
Brugia malayi RNA, U transporter 1 0.0089 0.2559 0.3381
Plasmodium falciparum thioredoxin reductase 0.0052 0.1415 1
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0018 0.0397 0.2803
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0017 0.0357 0.0357
Echinococcus granulosus intermediate filament protein 0.0029 0.0745 0.0745
Onchocerca volvulus 0.0017 0.0357 0.4793
Echinococcus granulosus BC026374 protein S09 family 0.0017 0.0357 0.0357
Loa Loa (eye worm) hypothetical protein 0.0014 0.0269 0.0269
Entamoeba histolytica hypothetical protein 0.0026 0.0627 1
Schistosoma mansoni hypothetical protein 0.0336 1 1
Treponema pallidum NADH oxidase 0.0018 0.0397 1
Trypanosoma cruzi trypanothione reductase, putative 0.0052 0.1415 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0397 0.2803
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0018 0.0397 0.2803
Schistosoma mansoni acetylcholinesterase 0.0017 0.0357 0.0357
Echinococcus multilocularis snurportin 1 0.0336 1 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0018 0.0397 0.0397
Trichomonas vaginalis ran, putative 0.0023 0.0556 0.8865
Mycobacterium tuberculosis Probable reductase 0.0118 0.3411 0.8958
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0023 0.0556 0.0556
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0052 0.1415 0.3716
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0018 0.0397 0.2803
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0018 0.0397 0.2803
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0014 0.0286 0.0286
Echinococcus granulosus transportin 1 0.0006 0.0036 0.0036
Onchocerca volvulus 0.0017 0.0357 0.4793
Toxoplasma gondii thioredoxin reductase 0.0052 0.1415 1
Echinococcus multilocularis lamin 0.0029 0.0745 0.0745
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0018 0.0397 0.2803
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0017 0.0357 0.0357
Echinococcus granulosus ankyrin repeat protein 0.0192 0.5653 0.5653
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0118 0.3411 0.8958
Schistosoma mansoni tar DNA-binding protein 0.0069 0.1944 0.1944
Loa Loa (eye worm) hypothetical protein 0.0029 0.0729 0.0729
Loa Loa (eye worm) carboxylesterase 0.0098 0.2819 0.2819
Loa Loa (eye worm) hypothetical protein 0.0098 0.2819 0.2819
Trypanosoma brucei Importin-beta N-terminal domain/HEAT-like repeat, putative 0.0006 0.0036 0.0257
Entamoeba histolytica Ran family GTPase 0.0023 0.0556 0.8865
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0131 0.3808 1
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0013 0.0253 0.0335
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0018 0.0397 0.2803
Echinococcus multilocularis tar DNA binding protein 0.0069 0.1944 0.1944
Loa Loa (eye worm) carboxylesterase 0.0017 0.0357 0.0357
Toxoplasma gondii HEAT repeat-containing protein 0.0006 0.0036 0.0257
Leishmania major hypothetical protein, conserved 0.0006 0.0036 0.0257
Brugia malayi kap beta 3 protein 0.0006 0.0036 0.0048
Echinococcus multilocularis para nitrobenzyl esterase 0.0017 0.0357 0.0357
Leishmania major trypanothione reductase 0.0052 0.1415 1
Echinococcus multilocularis transportin 1 0.0006 0.0036 0.0036
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0018 0.0397 1
Onchocerca volvulus 0.0017 0.0357 0.4793
Echinococcus granulosus GTP binding nuclear protein Ran 0.0023 0.0556 0.0556
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0017 0.0357 0.5696
Entamoeba histolytica HEAT repeat domain containing protein 0.0006 0.0036 0.058
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0023 0.0556 0.393
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0018 0.0397 0.2803
Echinococcus granulosus importin 5 0.0006 0.0036 0.0036
Mycobacterium tuberculosis Probable dehydrogenase 0.0118 0.3411 0.8958
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0018 0.0397 0.2803
Echinococcus granulosus carboxylesterase 5A 0.0098 0.2819 0.2819
Loa Loa (eye worm) hypothetical protein 0.0017 0.0357 0.0357
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0018 0.0397 0.0524
Echinococcus multilocularis musashi 0.0029 0.0745 0.0745
Echinococcus granulosus thioredoxin glutathione reductase 0.0052 0.1415 0.1415
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0336 1 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0026 0.0627 0.4433
Brugia malayi cytoplasmic intermediate filament protein 0.0016 0.0333 0.044
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0023 0.0556 0.0556
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0807 0.5703
Echinococcus multilocularis acetylcholinesterase 0.0098 0.2819 0.2819
Loa Loa (eye worm) hypothetical protein 0.0017 0.0357 0.0357
Echinococcus granulosus acetylcholinesterase 0.0098 0.2819 0.2819
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0018 0.0397 0.2803
Loa Loa (eye worm) TAR-binding protein 0.0069 0.1944 0.1944
Brugia malayi Importin beta-1 subunit 0.0031 0.0807 0.1066
Brugia malayi hypothetical protein 0.0017 0.0357 0.0472
Brugia malayi Carboxylesterase family protein 0.0017 0.0357 0.0472
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0017 0.0357 0.0357
Schistosoma mansoni transient receptor potential cation channel subfamily A member 0.0192 0.5653 0.5653
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0018 0.0397 0.2803
Echinococcus granulosus para nitrobenzyl esterase 0.0017 0.0357 0.0357
Loa Loa (eye worm) hypothetical protein 0.0017 0.0357 0.0357
Brugia malayi follicle stimulating hormone receptor 0.0255 0.7567 1
Echinococcus granulosus lamin 0.0029 0.0745 0.0745
Echinococcus granulosus lamin dm0 0.0029 0.0745 0.0745
Loa Loa (eye worm) hypothetical protein 0.0017 0.0357 0.0357
Loa Loa (eye worm) hypothetical protein 0.0014 0.0269 0.0269
Plasmodium falciparum importin beta, putative 0.0031 0.0807 0.5703
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0017 0.0357 0.0938
Brugia malayi RNA recognition motif domain containing protein 0.0069 0.1944 0.2569
Loa Loa (eye worm) thioredoxin reductase 0.0052 0.1415 0.1415
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0018 0.0397 0.0397
Plasmodium falciparum glutathione reductase 0.0052 0.1415 1
Toxoplasma gondii HEAT repeat-containing protein 0.0031 0.0807 0.5703
Trypanosoma cruzi trypanothione reductase, putative 0.0018 0.0397 0.2803
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0023 0.0556 0.393
Mycobacterium tuberculosis Carboxylesterase LipT 0.0017 0.0357 0.0938
Brugia malayi TAR-binding protein 0.0069 0.1944 0.2569
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0131 0.3808 1
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0018 0.0397 0.1042
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.0333 0.0333
Trypanosoma brucei trypanothione reductase 0.0052 0.1415 1
Schistosoma mansoni gliotactin 0.0017 0.0357 0.0357
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0023 0.0556 0.393
Brugia malayi Thioredoxin reductase 0.0052 0.1415 0.187
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0023 0.0556 0.393
Echinococcus granulosus acetylcholinesterase 0.0098 0.2819 0.2819
Trichomonas vaginalis spcc417.12 protein, putative 0.0017 0.0357 0.5696
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0745 0.0985
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0023 0.0556 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0018 0.0397 1
Brugia malayi Carboxylesterase family protein 0.0098 0.2819 0.3726
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0807 0.5703
Brugia malayi Carboxylesterase family protein 0.0017 0.0357 0.0472
Schistosoma mansoni intermediate filament proteins 0.0029 0.0745 0.0745
Trichomonas vaginalis mercuric reductase, putative 0.0018 0.0397 0.6324
Loa Loa (eye worm) hypothetical protein 0.0029 0.0745 0.0745
Brugia malayi RNA binding protein 0.0069 0.1944 0.2569
Schistosoma mansoni tar DNA-binding protein 0.0069 0.1944 0.1944
Toxoplasma gondii NADPH-glutathione reductase 0.0018 0.0397 0.2803
Mycobacterium tuberculosis Probable oxidoreductase 0.0131 0.3808 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0397 0.2803
Loa Loa (eye worm) hypothetical protein 0.0014 0.0286 0.0286
Toxoplasma gondii HEAT repeat-containing protein 0.0006 0.0036 0.0257
Trichomonas vaginalis glutathione reductase, putative 0.0018 0.0397 0.6324
Brugia malayi glutathione reductase 0.0052 0.1415 0.187
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0397 0.2803
Loa Loa (eye worm) hypothetical protein 0.0017 0.0357 0.0357
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0745 0.0745
Schistosoma mansoni importin-beta 2 0.0006 0.0036 0.0036
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0018 0.0397 1
Echinococcus multilocularis importin 5 0.0006 0.0036 0.0036
Echinococcus granulosus transient receptor potential cation channel 0.0194 0.5712 0.5712
Leishmania major importin beta-1 subunit, putative 0.0026 0.0627 0.4433
Echinococcus granulosus translational activator gcn1 0.0006 0.0036 0.0036
Loa Loa (eye worm) importin-beta domain-containing protein 0.0006 0.0036 0.0036
Trypanosoma brucei ULK family serine/threonine-protein kinase, putative 0.0006 0.0036 0.0257
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0017 0.0357 0.0357
Echinococcus multilocularis neuroligin 0.0017 0.0357 0.0357
Giardia lamblia NADH oxidase lateral transfer candidate 0.0018 0.0397 0.7134
Loa Loa (eye worm) RNA binding protein 0.0069 0.1944 0.1944
Echinococcus granulosus tar DNA binding protein 0.0069 0.1944 0.1944
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0397 0.2803
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0023 0.0556 0.0735
Trichomonas vaginalis importin beta-1, putative 0.0026 0.0627 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0397 0.2803
Leishmania major GTP-binding protein, putative 0.0023 0.0556 0.393
Schistosoma mansoni tar DNA-binding protein 0.0069 0.1944 0.1944
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0118 0.3411 0.8958
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0018 0.0397 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0017 0.0357 0.0938
Echinococcus multilocularis carboxylesterase 5A 0.0098 0.2819 0.2819
Plasmodium falciparum glutathione reductase 0.0018 0.0397 0.2803
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0017 0.0357 0.0357
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0745 0.0745
Brugia malayi Carboxylesterase family protein 0.0017 0.0357 0.0472
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0018 0.0397 0.2803
Schistosoma mansoni BC026374 protein (S09 family) 0.0017 0.0357 0.0357
Plasmodium vivax glutathione reductase, putative 0.0052 0.1415 1
Schistosoma mansoni lamin 0.0029 0.0745 0.0745
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0023 0.0556 0.393
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0118 0.3411 0.8958
Plasmodium vivax importin-beta 2, putative 0.0031 0.0807 0.5703
Schistosoma mansoni ran 0.0023 0.0556 0.0556
Brugia malayi Carboxylesterase family protein 0.0098 0.2819 0.3726
Loa Loa (eye worm) glutathione reductase 0.0052 0.1415 0.1415
Schistosoma mansoni tar DNA-binding protein 0.0069 0.1944 0.1944
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0018 0.0397 0.2803
Brugia malayi intermediate filament protein 0.0029 0.0745 0.0985
Echinococcus multilocularis transient receptor potential cation channel 0.0194 0.5721 0.5721
Loa Loa (eye worm) hypothetical protein 0.0098 0.2819 0.2819
Schistosoma mansoni importin beta-1 0.0031 0.0807 0.0807
Plasmodium falciparum thioredoxin reductase 0.0018 0.0397 0.2803
Echinococcus multilocularis BC026374 protein (S09 family) 0.0017 0.0357 0.0357
Plasmodium vivax transportin, putative 0.0006 0.0036 0.0257
Loa Loa (eye worm) acetylcholinesterase 1 0.0098 0.2819 0.2819

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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