Detailed information for compound 871442

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 271.275 | Formula: C13H13N5O2
  • H donors: 1 H acceptors: 4 LogP: 1.09 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=C1C(=Nc2n(C1c1ccccc1)nnn2)C)O
  • InChi: 1S/C13H13N5O2/c1-8-10(12(19)20-2)11(9-6-4-3-5-7-9)18-13(14-8)15-16-17-18/h3-7,11,19H,1-2H3
  • InChiKey: IZHQJQVLYDJLQJ-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

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 Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0995 0.0707
Schistosoma mansoni tar DNA-binding protein 0.0064 0.3444 0.3444
Echinococcus multilocularis GPCR, family 2 0.0015 0.0468 0.0468
Schistosoma mansoni sodium/chloride dependent transporter 0.0015 0.0464 0.0464
Brugia malayi MH2 domain containing protein 0.0008 0.0033 0.0048
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0015 0.0464 0.0464
Echinococcus granulosus sodium and chloride dependent glycine 0.0015 0.0464 0.0464
Schistosoma mansoni tar DNA-binding protein 0.0064 0.3444 0.3444
Loa Loa (eye worm) glutathione reductase 0.0048 0.2452 0.355
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0565 0.0035
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0015 0.0464 0.0464
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0995 1
Mycobacterium tuberculosis Probable reductase 0.011 0.6195 0.8837
Brugia malayi Thioredoxin reductase 0.0048 0.2452 0.355
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0995 1
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.0625 0.0808
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.2494 0.3611
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0677 0.0677
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0122 0.6938 1
Schistosoma mansoni hypothetical protein 0.0015 0.0468 0.0468
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0677 0.1073
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0015 0.0464 0.0464
Brugia malayi MH2 domain containing protein 0.0008 0.0033 0.0048
Loa Loa (eye worm) transcription factor SMAD2 0.0121 0.6907 1
Schistosoma mansoni smad 0.0008 0.0033 0.0033
Echinococcus multilocularis mothers against decapentaplegic 5 0.0008 0.0033 0.0033
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.2356 0.3412
Loa Loa (eye worm) hypothetical protein 0.0015 0.0464 0.0672
Loa Loa (eye worm) MH1 domain-containing protein 0.0008 0.0033 0.0048
Mycobacterium tuberculosis Probable dehydrogenase 0.011 0.6195 0.8837
Echinococcus granulosus tar DNA binding protein 0.0064 0.3444 0.3444
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0995 0.237
Schistosoma mansoni ap endonuclease 0.0019 0.0677 0.0677
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.2356 0.2356
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.2356 0.2356
Loa Loa (eye worm) hypothetical protein 0.0049 0.2494 0.3611
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0015 0.0464 0.0672
Loa Loa (eye worm) hypothetical protein 0.0018 0.0625 0.0905
Loa Loa (eye worm) hypothetical protein 0.0015 0.0468 0.0678
Loa Loa (eye worm) hypothetical protein 0.0024 0.0995 0.1441
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0677 0.0981
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0995 1
Toxoplasma gondii exonuclease III APE 0.0019 0.0677 0.1073
Plasmodium falciparum thioredoxin reductase 0.0048 0.2452 1
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0995 1
Loa Loa (eye worm) solute carrier family 6 member 4 0.009 0.5032 0.7285
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0468 0.0468
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0015 0.0464 0.0464
Onchocerca volvulus 0.0015 0.0464 0.0922
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0017 0.0543 0.0395
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0468 0.0678
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0017 0.0543 0.0786
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0677 1
Echinococcus granulosus Smad4 0.0008 0.0033 0.0033
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0017 0.0543 0.4888
Echinococcus granulosus smad 0.0008 0.0033 0.0033
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.009 0.5032 0.5032
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0015 0.0464 0.0464
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0677 0.2978
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0015 0.0464 0.0672
Schistosoma mansoni hypothetical protein 0.0172 1 1
Plasmodium falciparum glutathione reductase 0.0048 0.2452 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0995 0.0707
Echinococcus granulosus sodium and chloride dependent glycine 0.0015 0.0464 0.0464
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0677 0.0706
Schistosoma mansoni sodium/chloride dependent transporter 0.009 0.5032 0.5032
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0015 0.0464 0.0672
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0995 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0565 0.0035
Brugia malayi MH1 domain containing protein 0.0008 0.0033 0.0048
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0677 0.0706
Brugia malayi MH1 domain containing protein 0.0008 0.0033 0.0048
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.011 0.6195 0.8837
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0015 0.0464 0.0464
Schistosoma mansoni tar DNA-binding protein 0.0064 0.3444 0.3444
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0015 0.0464 0.0672
Brugia malayi Sodium:neurotransmitter symporter family protein 0.009 0.5032 0.7285
Echinococcus granulosus serotonin transporter 0.009 0.5032 0.5032
Echinococcus multilocularis Smad4 0.0008 0.0033 0.0033
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0015 0.0464 0.0464
Brugia malayi glutathione reductase 0.0048 0.2452 0.355
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0015 0.0464 0.0464
Loa Loa (eye worm) MH2 domain-containing protein 0.0008 0.0033 0.0048
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0008 0.0033 0.0033
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0008 0.0033 0.0033
Trypanosoma cruzi trypanothione reductase, putative 0.0048 0.2452 1
Plasmodium falciparum thioredoxin reductase 0.0017 0.0543 0.0395
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0017 0.0543 0.0543
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0468 0.0678
Brugia malayi Smad1 0.0008 0.0033 0.0048
Loa Loa (eye worm) serotonin transporter b 0.009 0.5032 0.7285
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0677 0.0211
Brugia malayi MH2 domain containing protein 0.0121 0.6907 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.011 0.6195 0.8837
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0995 1
Loa Loa (eye worm) TAR-binding protein 0.0064 0.3444 0.4987
Trypanosoma brucei trypanothione reductase 0.0048 0.2452 1
Brugia malayi hypothetical protein 0.0015 0.0464 0.0672
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0995 1
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0017 0.0543 0.0395
Echinococcus granulosus GPCR family 2 0.0015 0.0468 0.0468
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0565 0.0035
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0018 0.0625 0.1815
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0995 0.1441
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0012 0.0274 0.0397
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.0625 0.0808
Schistosoma mansoni hypothetical protein 0.0172 1 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0048 0.2452 0.2985
Loa Loa (eye worm) hypothetical protein 0.0018 0.0625 0.0905
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0995 0.1441
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0015 0.0464 0.0464
Echinococcus multilocularis geminin 0.0172 1 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.011 0.6195 0.8837
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0677 0.0677
Plasmodium vivax thioredoxin reductase, putative 0.0048 0.2452 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0464 0.0672
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0017 0.0543 0.0395
Echinococcus multilocularis smad 0.0008 0.0033 0.0033
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0015 0.0464 0.0464
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0677 1
Loa Loa (eye worm) hypothetical protein 0.009 0.5032 0.7285
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0015 0.0464 0.0464
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0015 0.0464 0.0672
Leishmania major trypanothione reductase 0.0048 0.2452 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0677 0.0706
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.2356 0.2356
Schistosoma mansoni tar DNA-binding protein 0.0064 0.3444 0.3444
Loa Loa (eye worm) hypothetical protein 0.0018 0.0625 0.0905
Plasmodium vivax glutathione reductase, putative 0.0048 0.2452 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0995 0.1441
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0017 0.0543 0.0543
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0995 0.1441
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0677 1
Loa Loa (eye worm) hypothetical protein 0.009 0.5032 0.7285
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0625 0.0128
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.2356 0.2356
Onchocerca volvulus 0.0015 0.0464 0.0922
Loa Loa (eye worm) hypothetical protein 0.0024 0.0995 0.1441
Echinococcus multilocularis thioredoxin glutathione reductase 0.0048 0.2452 0.2452
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0012 0.0274 0.0397
Schistosoma mansoni hypothetical protein 0.0015 0.0468 0.0468
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.2356 0.3412
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.2494 0.3611
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0565 0.0035
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0677 0.03
Schistosoma mansoni sodium/chloride dependent transporter 0.0015 0.0464 0.0464
Echinococcus multilocularis tar DNA binding protein 0.0064 0.3444 0.3444
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.011 0.6195 0.8749
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0468 0.0468
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0468 0.0468
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0468 0.0678
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.2356 0.2356
Loa Loa (eye worm) thioredoxin reductase 0.0048 0.2452 0.355
Schistosoma mansoni tar DNA-binding protein 0.0064 0.3444 0.3444
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.1556 0.2253
Loa Loa (eye worm) hypothetical protein 0.0015 0.0464 0.0672
Schistosoma mansoni hypothetical protein 0.0033 0.1556 0.1556
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0015 0.0464 0.0464
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.3444 0.4987
Loa Loa (eye worm) hypothetical protein 0.009 0.5032 0.7285
Loa Loa (eye worm) hypothetical protein 0.0018 0.0625 0.0905
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0122 0.6938 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.1556 0.2253
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0995 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0468 0.0468
Loa Loa (eye worm) hypothetical protein 0.0015 0.0464 0.0672
Loa Loa (eye worm) MH2 domain-containing protein 0.0121 0.6907 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0464 0.0672
Onchocerca volvulus 0.0015 0.0464 0.0922
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0015 0.0464 0.0672
Echinococcus multilocularis sodium and chloride dependent glycine 0.0015 0.0464 0.0464
Echinococcus multilocularis serotonin transporter 0.009 0.5032 0.5032
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.2356 0.2356
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0677 0.0706
Treponema pallidum sodium- and chloride- dependent transporter 0.009 0.5032 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0625 0.0905
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.2356 0.2356
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0015 0.0464 0.0464
Echinococcus granulosus TGF beta signal transducer SmadC 0.0008 0.0033 0.0033
Loa Loa (eye worm) norepinephrine transporter 0.009 0.5032 0.7285
Toxoplasma gondii thioredoxin reductase 0.0048 0.2452 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0017 0.0543 0.0395
Onchocerca volvulus 0.0024 0.0995 0.1978
Brugia malayi RNA binding protein 0.0064 0.3444 0.4987
Mycobacterium tuberculosis Probable oxidoreductase 0.0122 0.6938 1
Schistosoma mansoni hypothetical protein 0.0015 0.0468 0.0468
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.011 0.6195 0.8837
Schistosoma mansoni ap endonuclease 0.0019 0.0677 0.0677
Loa Loa (eye worm) RNA binding protein 0.0064 0.3444 0.4987
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0015 0.0464 0.0464
Loa Loa (eye worm) hypothetical protein 0.0015 0.0464 0.0672
Onchocerca volvulus 0.009 0.5032 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0677 1
Schistosoma mansoni sodium-dependent amino acid transporter 0.0015 0.0464 0.0464
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0995 1
Toxoplasma gondii NADPH-glutathione reductase 0.0017 0.0543 0.0395
Echinococcus granulosus thioredoxin glutathione reductase 0.0048 0.2452 0.2452
Schistosoma mansoni hypothetical protein 0.0015 0.0468 0.0468
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0995 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0464 0.0672
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.3444 0.4987
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0015 0.0464 0.0464
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0625 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.2494 0.3611
Schistosoma mansoni Smad4 0.0008 0.0033 0.0033
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0995 0.237
Schistosoma mansoni smad1 5 8 and 0.0008 0.0033 0.0033
Schistosoma mansoni smad1 5 8 and 0.0008 0.0033 0.0033
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0995 0.237
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0017 0.0543 0.0395
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0677 0.0981
Brugia malayi TAR-binding protein 0.0064 0.3444 0.4987
Plasmodium falciparum glutathione reductase 0.0017 0.0543 0.0395
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0677 0.1073
Echinococcus multilocularis sodium and chloride dependent glycine 0.0015 0.0464 0.0464
Mycobacterium ulcerans hypothetical protein 0.0024 0.0995 1
Schistosoma mansoni smad1 5 8 and 0.0008 0.0033 0.0033
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0122 0.6938 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0017 0.0543 0.0543
Echinococcus granulosus mothers against decapentaplegic 5 0.0008 0.0033 0.0033
Loa Loa (eye worm) Smad1 0.0008 0.0033 0.0048

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.