Detailed information for compound 761818

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 364.398 | Formula: C20H20N4O3
  • H donors: 3 H acceptors: 3 LogP: 2.84 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(Oc1ccc(cc1)c1n[nH]c(c1)C(=O)N/N=C/c1ccccc1O)C
  • InChi: 1S/C20H20N4O3/c1-13(2)27-16-9-7-14(8-10-16)17-11-18(23-22-17)20(26)24-21-12-15-5-3-4-6-19(15)25/h3-13,25H,1-2H3,(H,22,23)(H,24,26)/b21-12+
  • InChiKey: ORMZOUGMNRXRAS-CIAFOILYSA-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
Mycobacterium ulcerans hypothetical protein 0.0169 0.1317 1
Echinococcus multilocularis expressed protein 0.0039 0.0179 0.0179
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0045 0.0232 0.0876
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0122 0.0911 0.6918
Giardia lamblia NADH oxidase lateral transfer candidate 0.0019 0 0.5
Schistosoma mansoni rotamase 0.0039 0.0179 0.0588
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0054 0.0308 0.2337
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0039 0.0179 0.0068
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0054 0.0314 0.2384
Loa Loa (eye worm) hypothetical protein 0.0169 0.1324 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0038 0.0174 0.132
Entamoeba histolytica hypothetical protein 0.0366 0.3049 1
Plasmodium falciparum glutathione reductase 0.0054 0.0308 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.032 0.2646 1
Entamoeba histolytica hypothetical protein 0.0366 0.3049 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0193 0.0189
Brugia malayi glutathione reductase 0.0054 0.0308 0.1009
Mycobacterium ulcerans acyl-CoA synthetase 0.0054 0.0314 0.2384
Loa Loa (eye worm) hypothetical protein 0.0041 0.0193 0.0189
Loa Loa (eye worm) hypothetical protein 0.0054 0.0314 0.1235
Loa Loa (eye worm) hypothetical protein 0.0054 0.0314 0.1235
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0136 0.1031 0.7828
Loa Loa (eye worm) glutathione reductase 0.0054 0.0308 0.1181
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0136 0.1031 1
Plasmodium vivax glutathione reductase, putative 0.0054 0.0308 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0366 0.3049 0.3049
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0151 0.1166 0.4408
Trichomonas vaginalis rotamase, putative 0.0038 0.0171 0.955
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.032 0.2646 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0122 0.0911 0.6918
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0054 0.0314 0.2384
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0055 0.0318 0.1203
Trypanosoma brucei trypanothione reductase 0.0054 0.0308 0.1163
Brugia malayi AMP-binding enzyme family protein 0.0054 0.0314 0.1029
Trichomonas vaginalis rotamase, putative 0.0039 0.0179 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0038 0.0171 0.0647
Plasmodium falciparum thioredoxin reductase 0.0054 0.0308 1
Schistosoma mansoni transcription factor LCR-F1 0.0366 0.3049 1
Schistosoma mansoni hypothetical protein 0.0366 0.3049 1
Brugia malayi Thioredoxin reductase 0.0054 0.0308 0.1009
Toxoplasma gondii thioredoxin reductase 0.0054 0.0308 1
Plasmodium vivax acyl-CoA synthetase, putative 0.0041 0.0193 0.6282
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0151 0.1166 0.4408
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0038 0.0171 0.0647
Entamoeba histolytica acyl-coA synthetase, putative 0.0054 0.0314 0.0496
Trypanosoma brucei mitochondrial DNA polymerase beta 0.032 0.2646 1
Onchocerca volvulus 0.0169 0.1324 1
Brugia malayi AMP-binding enzyme family protein 0.0054 0.0314 0.1029
Mycobacterium ulcerans acyl-CoA synthetase 0.0054 0.0314 0.2384
Loa Loa (eye worm) hypothetical protein 0.0041 0.0193 0.0189
Leishmania major 4-coumarate:coa ligase-like protein 0.0054 0.0314 0.1186
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0041 0.0193 0.1468
Mycobacterium ulcerans acyl-CoA synthetase 0.0054 0.0314 0.2384
Mycobacterium tuberculosis Probable reductase 0.0122 0.0911 0.6918
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0054 0.0314 0.2384
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0122 0.0911 0.6918
Leishmania major mitochondrial DNA polymerase beta 0.032 0.2646 1
Entamoeba histolytica hypothetical protein 0.0366 0.3049 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.0326 0.1343
Mycobacterium tuberculosis Conserved hypothetical protein 0.0169 0.1317 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0038 0.0171 0.0647
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0045 0.0232 0.0876
Mycobacterium tuberculosis Probable oxidoreductase 0.0136 0.1031 0.7828
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0136 0.1031 0.7828
Leishmania major trypanothione reductase 0.0054 0.0308 0.1163
Plasmodium vivax thioredoxin reductase, putative 0.0054 0.0308 1
Trypanosoma cruzi trypanothione reductase, putative 0.0054 0.0308 0.1163
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0366 0.3049 0.3049
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0019 0 0.5
Echinococcus granulosus expressed protein 0.0039 0.0179 0.0179
Mycobacterium tuberculosis Probable dehydrogenase 0.0122 0.0911 0.6918
Loa Loa (eye worm) hypothetical protein 0.0054 0.0314 0.1235
Brugia malayi hypothetical protein 0.0366 0.3049 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0054 0.0314 0.2384
Entamoeba histolytica hypothetical protein 0.0366 0.3049 1
Plasmodium falciparum acyl-CoA synthetase 0.0041 0.0193 0.6282
Brugia malayi Calcitonin receptor-like protein seb-1 0.0056 0.0326 0.107
Toxoplasma gondii hypothetical protein 0.0052 0.029 0.9425
Loa Loa (eye worm) hypothetical protein 0.0041 0.0193 0.0189
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0038 0.0174 0.132
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0041 0.0193 0.1468
Echinococcus granulosus thioredoxin glutathione reductase 0.0054 0.0308 0.0308
Brugia malayi AMP-binding enzyme family protein 0.0054 0.0314 0.1029
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0054 0.0314 0.2384
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0039 0.0179 0.0588
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0038 0.0174 0.132
Leishmania major 4-coumarate:coa ligase-like protein 0.0054 0.0314 0.1186
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0122 0.0911 0.8328
Entamoeba histolytica acyl-CoA synthetase, putative 0.0054 0.0314 0.0496
Echinococcus multilocularis tumor protein p63 0.1157 1 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0193 0.0189
Toxoplasma gondii peptidylprolyl isomerase 0.0038 0.0171 0.5565
Mycobacterium ulcerans hypothetical protein 0.0054 0.0314 0.2384
Schistosoma mansoni cellular tumor antigen P53 0.0169 0.1324 0.4343
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0056 0.0326 0.107
Entamoeba histolytica acyl-CoA synthetase, putative 0.0054 0.0314 0.0496
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0054 0.0314 0.2384
Echinococcus multilocularis thioredoxin glutathione reductase 0.0054 0.0308 0.0308
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0171 0.0562
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0045 0.0232 0.0876
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0179 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0019 0 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.0326 0.1343
Treponema pallidum NADH oxidase 0.0019 0 0.5
Leishmania major 4-coumarate:coa ligase-like protein 0.0054 0.0314 0.1186
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0041 0.0193 1
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0038 0.0171 0.0647
Schistosoma mansoni hypothetical protein 0.0038 0.0171 0.0562
Loa Loa (eye worm) thioredoxin reductase 0.0054 0.0308 0.1181
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0122 0.0911 0.6918
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0038 0.0174 0.132
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0151 0.1166 0.4408
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0045 0.0232 0.0876

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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