Detailed information for compound 1814837

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 523.371 | Formula: C25H20Cl2N6O3
  • H donors: 3 H acceptors: 5 LogP: 4.94 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: CNC(=O)c1cc(Cl)cc(c1NC(=O)c1cc(nn1c1ncccc1Cl)C(=O)Nc1ccccc1)C
  • InChi: 1S/C25H20Cl2N6O3/c1-14-11-15(26)12-17(23(34)28-2)21(14)31-25(36)20-13-19(24(35)30-16-7-4-3-5-8-16)32-33(20)22-18(27)9-6-10-29-22/h3-13H,1-2H3,(H,28,34)(H,30,35)(H,31,36)
  • InChiKey: GMFUCVAMZGYKFY-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
Brugia malayi FAD binding domain containing protein 0.0418 0.5883 0.5843
Schistosoma mansoni NADPH flavin oxidoreductase 0.0341 0.4659 0.4568
Loa Loa (eye worm) glycosyl hydrolase family 2 0.0059 0.0168 0.0072
Schistosoma mansoni alpha-l-fucosidase 0.02 0.2422 0.2292
Plasmodium falciparum S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.0259 0.3354 0.3033
Trichomonas vaginalis glycoside hydrolase, putative 0.0113 0.1028 0.042
Echinococcus granulosus fucosidase alpha L 1 tissue 0.0331 0.4505 0.4239
Leishmania major p450 reductase, putative 0.0676 1 1
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0418 0.5883 0.5813
Echinococcus granulosus lysosomal alpha glucosidase 0.0083 0.0556 0.01
Echinococcus multilocularis lysosomal alpha glucosidase 0.0083 0.0556 0.01
Brugia malayi Alpha-L-fucosidase family protein 0.02 0.2422 0.2348
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0259 0.3354 0.2904
Entamoeba histolytica type A flavoprotein, putative 0.0259 0.3354 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0083 0.0556 0.01
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0676 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0113 0.1028 0.042
Toxoplasma gondii MAPEG family protein 0.0109 0.0978 0.1257
Schistosoma mansoni alpha-glucosidase 0.0071 0.0372 0.0208
Schistosoma mansoni lipoxygenase 0.0081 0.052 0.0358
Toxoplasma gondii flavodoxin domain-containing protein 0.0336 0.4578 1
Trypanosoma brucei S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.0259 0.3354 0.3033
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0676 1 1
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0676 1 1
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0259 0.3354 0.2904
Trypanosoma cruzi p450 reductase, putative 0.0676 1 1
Brugia malayi Glycosyl hydrolases family 2, sugar binding domain containing protein 0.0059 0.0168 0.0072
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.0259 0.3354 0.3033
Schistosoma mansoni cytochrome B5 0.0077 0.0461 0.0297
Plasmodium falciparum NADPH--cytochrome P450 reductase, putative 0.0259 0.3354 0.3033
Plasmodium falciparum nitric oxide synthase, putative 0.0676 1 1
Mycobacterium ulcerans alpha-L-fucosidase 0.0331 0.4505 0.4239
Trichomonas vaginalis beta-galactosidase, putative 0.0113 0.1028 0.042
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0676 1 1
Schistosoma mansoni lipoxygenase 0.0115 0.1072 0.0919
Schistosoma mansoni NADH-cytochrome B5 reductase 0.0077 0.0461 0.0297
Echinococcus multilocularis microsomal glutathione S transferase 3 0.0109 0.0978 0.0542
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0676 1 1
Mycobacterium tuberculosis Probable monooxygenase 0.0077 0.0461 0.5
Loa Loa (eye worm) FAD binding domain-containing protein 0.0418 0.5883 0.5843
Trypanosoma cruzi NADPH--cytochrome P450 reductase, putative 0.0259 0.3354 0.3033
Loa Loa (eye worm) diaphorase 0.0077 0.0461 0.0368
Plasmodium vivax flavodoxin domain containing protein 0.0599 0.8776 0.8717
Mycobacterium tuberculosis Probable oxidoreductase 0.0077 0.0461 0.5
Trichomonas vaginalis sulfite reductase, putative 0.0676 1 1
Echinococcus granulosus microsomal glutathione S transferase 3 0.0109 0.0978 0.0542
Brugia malayi flavodoxin family protein 0.0259 0.3354 0.3289
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0676 1 1
Entamoeba histolytica type A flavoprotein, putative 0.0259 0.3354 1
Loa Loa (eye worm) cytochrome b5 reductase 4 0.0077 0.0461 0.0368
Echinococcus multilocularis fucosidase, alpha L 1, tissue 0.0331 0.4505 0.4239
Loa Loa (eye worm) FAD binding domain-containing protein 0.0676 1 1
Entamoeba histolytica type A flavoprotein, putative 0.0259 0.3354 1
Loa Loa (eye worm) flavodoxin family protein 0.0259 0.3354 0.3289
Plasmodium vivax hypothetical protein, conserved 0.0259 0.3354 0.3033
Giardia lamblia Hypothetical protein 0.0599 0.8776 1
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0676 1 1
Giardia lamblia Nitric oxide synthase, inducible 0.0599 0.8776 1
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0676 1 1
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0676 1 1
Schistosoma mansoni alpha-glucosidase 0.0071 0.0372 0.0208
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0115 0.1072 0.0641
Loa Loa (eye worm) alpha-L-fucosidase 0.02 0.2422 0.2348
Leishmania major cytochrome P450 reductase, putative 0.0599 0.8776 0.8717
Brugia malayi diaphorase 0.0077 0.0461 0.0368
Schistosoma mansoni cytochrome P450 reductase 0.0676 1 1
Brugia malayi manba-prov protein 0.0093 0.0718 0.0627
Entamoeba histolytica type A flavoprotein, putative 0.0259 0.3354 1
Schistosoma mansoni memapsin-2 (A01 family) 0.0308 0.4135 0.4035
Chlamydia trachomatis sulfite reductase 0.0418 0.5883 1
Leishmania major hypothetical protein, conserved 0.0259 0.3354 0.3033
Mycobacterium tuberculosis Possible electron transfer protein FdxB 0.0077 0.0461 0.5
Loa Loa (eye worm) hypothetical protein 0.0676 1 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0083 0.0556 0.0464
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0676 1 1
Echinococcus granulosus methionine synthase reductase 0.0418 0.5883 0.5684
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0083 0.0556 0.0464
Schistosoma mansoni diflavin oxidoreductase 0.0336 0.4578 0.4485
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0676 1 1
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.0599 0.8776 0.8694
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0115 0.1072 0.0641
Entamoeba histolytica type A flavoprotein, putative 0.0259 0.3354 1
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0259 0.3354 0.2904
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0676 1 1
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0259 0.3354 0.2904
Mycobacterium tuberculosis Hypothetical oxidoreductase 0.0077 0.0461 0.5
Onchocerca volvulus 0.0077 0.0461 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0345 0.4735 0.4645
Treponema pallidum flavodoxin 0.0259 0.3354 1
Brugia malayi Cytochrome b5-like Heme/Steroid binding domain containing protein 0.0077 0.0461 0.0368
Mycobacterium tuberculosis Possible oxygenase 0.0077 0.0461 0.5
Toxoplasma gondii flavodoxin domain-containing protein 0.0336 0.4578 1
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.0259 0.3354 0.3033
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0676 1 1
Echinococcus multilocularis methionine synthase reductase 0.0418 0.5883 0.5684
Schistosoma mansoni membrane associated proteins in eicosanoid and glutathione metabolism family member 0.0477 0.6834 0.678
Schistosoma mansoni microsomal glutathione s-transferase 0.0109 0.0978 0.0824
Brugia malayi FAD binding domain containing protein 0.0676 1 1
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0676 1 1

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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