Detailed information for compound 1725326

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 203.24 | Formula: C11H13N3O
  • H donors: 2 H acceptors: 1 LogP: 1.36 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(c1ccccc1)Cc1[nH][nH]c(=O)c1
  • InChi: 1S/C11H13N3O/c1-14(10-5-3-2-4-6-10)8-9-7-11(15)13-12-9/h2-7H,8H2,1H3,(H2,12,13,15)
  • InChiKey: DPIRLKDBVHUHBY-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
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0112 0.1048 0.1526
Echinococcus granulosus Niemann Pick C1 protein 0.0158 0.1561 0.2293
Echinococcus multilocularis expressed conserved protein 0.0104 0.0954 0.0929
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.002 0.0012 0.0257
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0027 0.0088 1
Echinococcus multilocularis Niemann Pick C1 protein 0.011 0.1029 0.1005
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0027 0.0088 1
Trichomonas vaginalis CAMK family protein kinase 0.0058 0.0441 0.0618
Trypanosoma brucei protein kinase, putative 0.0617 0.6718 1
Entamoeba histolytica hypothetical protein 0.004 0.0242 0.162
Mycobacterium ulcerans hypothetical protein 0.0027 0.0088 1
Trichomonas vaginalis CMGC family protein kinase 0.0617 0.6718 1
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0587 0.0837
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0111 0.1041 0.1516
Loa Loa (eye worm) glutathione reductase 0.0061 0.0475 0.0517
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0617 0.6718 1
Toxoplasma gondii thioredoxin reductase 0.0061 0.0475 0.067
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0587 0.0837
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0617 0.6718 1
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0617 0.6718 1
Loa Loa (eye worm) hypothetical protein 0.0816 0.896 1
Loa Loa (eye worm) TAR-binding protein 0.0071 0.0587 0.0642
Mycobacterium tuberculosis Probable oxidoreductase 0.0021 0.0027 0.0563
Schistosoma mansoni patched 1 0.0047 0.0321 0.044
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.011 0.1029 0.987
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0021 0.0027 0.0314
Loa Loa (eye worm) thioredoxin reductase 0.0061 0.0475 0.0517
Loa Loa (eye worm) hypothetical protein 0.011 0.1029 0.1136
Plasmodium falciparum thioredoxin reductase 0.0021 0.0027 0.0314
Echinococcus granulosus mitogen activated protein kinase 3 0.0617 0.6718 1
Schistosoma mansoni hypothetical protein 0.0046 0.0302 0.0411
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0021 0.0027 0.0314
Trichomonas vaginalis CMGC family protein kinase 0.0617 0.6718 1
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0321 0.044
Plasmodium falciparum thioredoxin reductase 0.0061 0.0475 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0088 1
Schistosoma mansoni hypothetical protein 0.004 0.0242 0.0322
Plasmodium falciparum glutathione reductase 0.0021 0.0027 0.0314
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0021 0.0027 0.5
Schistosoma mansoni hypothetical protein 0.0046 0.0302 0.0411
Plasmodium falciparum glutathione reductase 0.0061 0.0475 1
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0218 0.0286
Brugia malayi RNA binding protein 0.0071 0.0587 0.0837
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0056 0.0417 0.0583
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0021 0.0027 0.0563
Trypanosoma cruzi polo-like protein kinase, putative 0.0111 0.1041 0.1516
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0088 1
Plasmodium vivax thioredoxin reductase, putative 0.0061 0.0475 1
Echinococcus granulosus sterol regulatory element binding protein 0.0047 0.0321 0.044
Onchocerca volvulus Serine\/threonine kinase homolog 0.0111 0.1041 1
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0021 0.0027 0.0563
Schistosoma mansoni hypothetical protein 0.0046 0.0302 0.0411
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.0417 0.0452
Echinococcus granulosus tar DNA binding protein 0.0071 0.0587 0.0837
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0587 0.0837
Echinococcus multilocularis thioredoxin glutathione reductase 0.0061 0.0475 0.0449
Loa Loa (eye worm) hypothetical protein 0.0058 0.0441 0.0479
Brugia malayi CHE-14 protein 0.0047 0.0321 0.044
Trypanosoma brucei trypanothione reductase 0.0061 0.0475 0.067
Trichomonas vaginalis CAMK family protein kinase 0.0111 0.1041 0.1516
Echinococcus multilocularis sterol regulatory element binding protein 0.0047 0.0321 0.0295
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0071 0.0587 0.0642
Trichomonas vaginalis CAMK family protein kinase 0.0111 0.1041 0.1516
Trypanosoma brucei polo-like protein kinase 0.0111 0.1041 0.1516
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0617 0.6718 0.7495
Trichomonas vaginalis CMGC family protein kinase 0.0617 0.6718 1
Echinococcus multilocularis protein dispatched 1 0.0054 0.0396 0.0371
Brugia malayi MAP kinase sur-1 0.0617 0.6718 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.0321 0.0345
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0111 0.1041 0.1516
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0027 0.0088 1
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0021 0.0027 0.1926
Brugia malayi Niemann-Pick C1 protein precursor 0.011 0.1029 0.1498
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0021 0.0027 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0111 0.1041 0.1516
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0617 0.6718 1
Trichomonas vaginalis CAMK family protein kinase 0.0111 0.1041 0.1516
Loa Loa (eye worm) hypothetical protein 0.0027 0.0088 0.0084
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0111 0.1041 0.115
Echinococcus multilocularis mitogen activated protein kinase 0.0617 0.6718 0.6709
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0617 0.6718 1
Brugia malayi hypothetical protein 0.004 0.0242 0.0322
Plasmodium vivax glutathione reductase, putative 0.0061 0.0475 1
Loa Loa (eye worm) RNA binding protein 0.0071 0.0587 0.0642
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0088 0.0091
Trichomonas vaginalis CAMK family protein kinase 0.0058 0.0441 0.0618
Schistosoma mansoni kinase 0.0059 0.0456 0.0642
Brugia malayi RNA recognition motif domain containing protein 0.0071 0.0587 0.0837
Schistosoma mansoni serine/threonine protein kinase 0.0111 0.1041 0.1516
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0021 0.0027 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0088 0.0091
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0027 0.0088 0.1846
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0088 0.0091
Trichomonas vaginalis CAMK family protein kinase 0.0111 0.1041 0.1516
Echinococcus granulosus mitogen activated protein kinase 0.0617 0.6718 1
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0587 0.0837
Schistosoma mansoni transcription factor LCR-F1 0.004 0.0242 0.0322
Echinococcus granulosus Protein patched homolog 1 0.0047 0.0321 0.044
Brugia malayi glutathione reductase 0.0061 0.0475 0.067
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0617 0.6718 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0088 0.0084
Echinococcus granulosus thioredoxin glutathione reductase 0.0061 0.0475 0.067
Echinococcus multilocularis mitogen activated protein kinase 3 0.0617 0.6718 0.6709
Echinococcus multilocularis Niemann Pick C1 protein 0.0158 0.1561 0.1538
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0061 0.0475 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.0242 0.0322
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0617 0.6718 1
Trichomonas vaginalis CAMK family protein kinase 0.0111 0.1041 0.1516
Trichomonas vaginalis CMGC family protein kinase 0.0617 0.6718 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0021 0.0027 0.1926
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0021 0.0027 0.0563
Trypanosoma cruzi trypanothione reductase, putative 0.0061 0.0475 0.067
Loa Loa (eye worm) hypothetical protein 0.0056 0.0417 0.0452
Giardia lamblia Kinase, CMGC MAPK 0.0617 0.6718 1
Echinococcus multilocularis tar DNA binding protein 0.0071 0.0587 0.0562
Echinococcus granulosus expressed conserved protein 0.0104 0.0954 0.1385
Entamoeba histolytica hypothetical protein 0.004 0.0242 0.162
Echinococcus multilocularis protein patched 0.0047 0.0321 0.0295
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0047 0.0321 0.0345
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0021 0.0027 0.0314
Entamoeba histolytica serine/threonine protein kinase, putative 0.0111 0.1041 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.0242 0.0216
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0027 0.0088 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0111 0.1041 0.1516
Giardia lamblia Kinase, PLK 0.0111 0.1041 0.1516
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0088 0.0091
Schistosoma mansoni serine/threonine protein kinase 0.0617 0.6718 1
Entamoeba histolytica hypothetical protein 0.004 0.0242 0.162
Echinococcus granulosus Niemann Pick C1 protein 0.011 0.1029 0.1498
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0088 0.0091
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0027 0.0088 0.1846
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0021 0.0027 0.0314
Loa Loa (eye worm) hypothetical protein 0.0038 0.0218 0.023
Loa Loa (eye worm) hypothetical protein 0.0027 0.0088 0.0084
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0088 0.0091
Loa Loa (eye worm) hypothetical protein 0.0816 0.896 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0617 0.6718 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0111 0.1041 0.1017
Brugia malayi Calcitonin receptor-like protein seb-1 0.0056 0.0417 0.0583
Leishmania major trypanothione reductase 0.0061 0.0475 0.067
Schistosoma mansoni hypothetical protein 0.0046 0.0302 0.0411
Trichomonas vaginalis CAMK family protein kinase 0.0111 0.1041 0.1516
Schistosoma mansoni hypothetical protein 0.0038 0.0218 0.0286
Brugia malayi serine/threonine-protein kinase plk-2 0.0111 0.1041 0.1516
Entamoeba histolytica hypothetical protein 0.004 0.0242 0.162
Treponema pallidum NADH oxidase 0.0021 0.0027 0.5
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0027 0.0088 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0027 0.0088 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0021 0.0027 0.1926
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0088 1
Brugia malayi TAR-binding protein 0.0071 0.0587 0.0837
Brugia malayi Thioredoxin reductase 0.0061 0.0475 0.067
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0587 0.0837

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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