Detailed information for compound 1726248

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 253.299 | Formula: C15H15N3O
  • H donors: 2 H acceptors: 1 LogP: 2.61 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(c1ccc2c(c1)cccc2)Cc1[nH][nH]c(=O)c1
  • InChi: 1S/C15H15N3O/c1-18(10-13-9-15(19)17-16-13)14-7-6-11-4-2-3-5-12(11)8-14/h2-9H,10H2,1H3,(H2,16,17,19)
  • InChiKey: DHZCZCJWIKJXNV-UHFFFAOYSA-N  


Substructure search Similarity search

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

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.