Detailed information for compound 301629

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 375.464 | Formula: C23H25N3O2
  • H donors: 2 H acceptors: 0 LogP: 4.1 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: C/N=C(\Nc1ccc(c(c1)OCCc1ccccc1)OCc1ccccc1)/N
  • InChi: 1S/C23H25N3O2/c1-25-23(24)26-20-12-13-21(28-17-19-10-6-3-7-11-19)22(16-20)27-15-14-18-8-4-2-5-9-18/h2-13,16H,14-15,17H2,1H3,(H3,24,25,26)
  • InChiKey: GECOAQNIUKBYLB-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
Trypanosoma cruzi oxidoreductase-protein, putative 0.0037 0.0157 0.0277
Echinococcus multilocularis methionine synthase reductase 0.0201 0.3297 0.3297
Toxoplasma gondii NADPH-glutathione reductase 0.0109 0.1526 0.2803
Brugia malayi Intermediate filament tail domain containing protein 0.0032 0.0061 0.0107
Leishmania major cytochrome-b5 reductase, putative 0.0037 0.0157 0.0277
Loa Loa (eye worm) flavodoxin family protein 0.0125 0.1833 0.3226
Echinococcus granulosus neuropeptide receptor A26 0.0552 1 1
Echinococcus granulosus intermediate filament protein 0.0032 0.0061 0.0061
Brugia malayi flavodoxin family protein 0.0326 0.5682 1
Loa Loa (eye worm) FAD binding domain-containing protein 0.0326 0.5682 1
Schistosoma mansoni diflavin oxidoreductase 0.0162 0.2541 0.4473
Trichomonas vaginalis glutathione reductase, putative 0.0109 0.1526 0.2685
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0109 0.1526 0.1526
Schistosoma mansoni cytochrome P450 reductase 0.0326 0.5682 1
Schistosoma mansoni intermediate filament proteins 0.0032 0.0061 0.0107
Leishmania major NADH-dependent fumarate reductase, putative 0.0037 0.0157 0.0277
Schistosoma mansoni cytochrome B5 0.0037 0.0157 0.0277
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0326 0.5682 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0109 0.1526 0.2685
Mycobacterium tuberculosis Hypothetical oxidoreductase 0.0037 0.0157 0.0289
Leishmania major NADH-cytochrome b5 reductase, putative 0.0037 0.0157 0.0277
Leishmania major hypothetical protein, conserved 0.0125 0.1833 0.3226
Loa Loa (eye worm) FAD binding domain-containing protein 0.0201 0.3297 0.5804
Onchocerca volvulus 0.0037 0.0157 1
Schistosoma mansoni lamin 0.0032 0.0061 0.0107
Echinococcus granulosus cytochrome b5 reductase 4 0.0037 0.0157 0.0157
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0109 0.1526 0.2685
Giardia lamblia Nitric oxide synthase, inducible 0.0289 0.4973 1
Echinococcus multilocularis lamin 0.0032 0.0061 0.0061
Brugia malayi intermediate filament protein 0.0032 0.0061 0.0107
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0201 0.3297 0.5804
Trypanosoma cruzi cytochrome-b5 reductase, putative 0.0037 0.0157 0.0277
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0326 0.5682 1
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0326 0.5682 0.5682
Leishmania major oxidoreductase-like protein 0.0037 0.0157 0.0277
Leishmania major NADH-cytochrome b5 reductase, putative 0.0037 0.0157 0.0277
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0326 0.5682 1
Entamoeba histolytica type A flavoprotein, putative 0.0125 0.1833 1
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0125 0.1833 0.3226
Plasmodium falciparum glutathione reductase 0.0314 0.5442 0.9579
Loa Loa (eye worm) hypothetical protein 0.0032 0.0061 0.0107
Entamoeba histolytica type A flavoprotein, putative 0.0125 0.1833 1
Mycobacterium ulcerans oxygenase 0.0037 0.0157 0.0277
Onchocerca volvulus 0.0032 0.0061 0.3868
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0326 0.5682 1
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.0037 0.0157 0.0277
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0109 0.1526 0.2685
Mycobacterium tuberculosis Probable oxidoreductase 0.0109 0.1526 0.2803
Trichomonas vaginalis sulfite reductase, putative 0.0326 0.5682 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0109 0.1526 0.2685
Leishmania major p450 reductase, putative 0.0326 0.5682 1
Leishmania major cytochrome P450 reductase, putative 0.0289 0.4973 0.8753
Trypanosoma cruzi p450 reductase, putative 0.0326 0.5682 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0109 0.1526 0.2685
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0109 0.1526 0.2685
Entamoeba histolytica type A flavoprotein, putative 0.0125 0.1833 1
Plasmodium vivax flavodoxin domain containing protein 0.0289 0.4973 0.8753
Trypanosoma cruzi NADPH--cytochrome P450 reductase, putative 0.0125 0.1833 0.3226
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0109 0.1526 0.2803
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0109 0.1526 0.2685
Treponema pallidum flavodoxin 0.0125 0.1833 1
Giardia lamblia Hypothetical protein 0.0289 0.4973 1
Trypanosoma brucei NADH-cytochrome b5 reductase, putative 0.0037 0.0157 0.0277
Plasmodium falciparum ferredoxin--NADP reductase 0.0037 0.0157 0.0277
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.0037 0.0157 0.0277
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0032 0.0061 0.0107
Brugia malayi FAD binding domain containing protein 0.0201 0.3297 0.5804
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0326 0.5682 1
Giardia lamblia NADH oxidase lateral transfer candidate 0.0109 0.1526 0.3068
Brugia malayi glutathione reductase 0.0314 0.5442 0.9579
Trypanosoma cruzi reductase, putative 0.0037 0.0157 0.0277
Mycobacterium tuberculosis Probable monooxygenase 0.0037 0.0157 0.0289
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.0037 0.0157 0.0277
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.0125 0.1833 0.3226
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.0037 0.0157 0.0277
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0109 0.1526 0.2803
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0109 0.1526 0.2685
Leishmania major nitrate reductase, putative 0.0037 0.0157 0.0277
Echinococcus multilocularis cytochrome b5 reductase 4 0.0037 0.0157 0.0157
Chlamydia trachomatis Na(+)-translocating NADH-quinone reductase subunit F 0.0037 0.0157 0.0477
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0109 0.1526 0.1526
Plasmodium falciparum thioredoxin reductase 0.0109 0.1526 0.2685
Plasmodium vivax oxidoreductase NAD-binding domain containing protein 0.0037 0.0157 0.0277
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.008 0.0974 0.1715
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0109 0.1526 0.2685
Echinococcus multilocularis musashi 0.0032 0.0061 0.0061
Schistosoma mansoni NADPH flavin oxidoreductase 0.0164 0.2589 0.4557
Echinococcus granulosus lamin 0.0032 0.0061 0.0061
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.0037 0.0157 0.0277
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0125 0.1833 0.3226
Trypanosoma cruzi nitrate reductase, putative 0.0037 0.0157 0.0277
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0109 0.1526 0.2685
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0109 0.1526 0.2685
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0109 0.1526 0.4627
Echinococcus granulosus thioredoxin glutathione reductase 0.0314 0.5442 0.5442
Mycobacterium tuberculosis Probable oxidoreductase 0.0037 0.0157 0.0289
Giardia lamblia Flavohemoprotein lateral transfer candidate 0.0037 0.0157 0.0316
Trypanosoma brucei trypanothione reductase 0.0314 0.5442 0.9579
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0109 0.1526 0.2685
Mycobacterium ulcerans monooxygenase 0.0037 0.0157 0.0277
Brugia malayi diaphorase 0.0037 0.0157 0.0277
Plasmodium falciparum S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.0125 0.1833 0.3226
Brugia malayi FAD binding domain containing protein 0.0326 0.5682 1
Trichomonas vaginalis mercuric reductase, putative 0.0109 0.1526 0.2685
Schistosoma mansoni lamin 0.0032 0.0061 0.0107
Toxoplasma gondii flavodoxin domain-containing protein 0.0162 0.2541 0.467
Chlamydia trachomatis sulfite reductase 0.0201 0.3297 1
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.0037 0.0157 0.0277
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0326 0.5682 1
Toxoplasma gondii NADH-cytochrome b5 reductase 1, putative 0.0037 0.0157 0.0289
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.0125 0.1833 0.3226
Trypanosoma cruzi p450 reductase, putative 0.0037 0.0157 0.0277
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0109 0.1526 0.2685
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.0037 0.0157 0.0277
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0326 0.5682 0.5682
Trypanosoma cruzi trypanothione reductase, putative 0.0314 0.5442 0.9579
Trypanosoma brucei NADH-cytochrome b5 reductase, putative 0.0037 0.0157 0.0277
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0326 0.5682 0.5682
Trypanosoma brucei NADH-cytochrome b5 reductase, putative 0.0037 0.0157 0.0277
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0326 0.5682 0.5682
Brugia malayi Thioredoxin reductase 0.0314 0.5442 0.9579
Trypanosoma brucei NADH-dependent fumarate reductase, putative 0.0037 0.0157 0.0277
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.0037 0.0157 0.0277
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0037 0.0157 0.0277
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.0037 0.0157 0.0277
Trypanosoma brucei NADH-cytochrome b5 reductase, putative 0.0037 0.0157 0.0277
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0109 0.1526 0.2685
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0109 0.1526 0.2685
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0109 0.1526 0.2685
Loa Loa (eye worm) thioredoxin reductase 0.0314 0.5442 0.9579
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.008 0.0974 0.1715
Loa Loa (eye worm) diaphorase 0.0037 0.0157 0.0277
Trypanosoma brucei NADH-dependent fumarate reductase 0.0037 0.0157 0.0277
Mycobacterium ulcerans flavodoxin reductase Hmp 0.0037 0.0157 0.0277
Mycobacterium tuberculosis Possible electron transfer protein FdxB 0.0037 0.0157 0.0289
Plasmodium vivax hypothetical protein, conserved 0.0125 0.1833 0.3226
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0109 0.1526 0.2685
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0109 0.1526 0.2685
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0125 0.1833 0.3226
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0109 0.1526 0.2685
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0326 0.5682 1
Toxoplasma gondii thioredoxin reductase 0.0314 0.5442 1
Echinococcus granulosus lamin dm0 0.0032 0.0061 0.0061
Trypanosoma cruzi cytochrome-b5 reductase, putative 0.0037 0.0157 0.0277
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.0289 0.4973 0.8753
Plasmodium falciparum NADH-cytochrome b5 reductase, putative 0.0037 0.0157 0.0277
Plasmodium vivax thioredoxin reductase, putative 0.0314 0.5442 0.9579
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0326 0.5682 1
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0326 0.5682 1
Loa Loa (eye worm) intermediate filament protein 0.0032 0.0061 0.0107
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0109 0.1526 0.2803
Leishmania major NADH-dependent fumarate reductase-like protein 0.0037 0.0157 0.0277
Trypanosoma brucei S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.0125 0.1833 0.3226
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.0037 0.0157 0.0277
Toxoplasma gondii ferredoxin NADP+ oxidoreductase FNR 0.0037 0.0157 0.0289
Echinococcus multilocularis neuropeptide s receptor 0.0552 1 1
Mycobacterium tuberculosis Possible oxygenase 0.0037 0.0157 0.0289
Trypanosoma brucei NADH-cytochrome b5 reductase-like protein 0.0037 0.0157 0.0277
Entamoeba histolytica type A flavoprotein, putative 0.0125 0.1833 1
Toxoplasma gondii flavodoxin domain-containing protein 0.0162 0.2541 0.467
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0109 0.1526 0.2685
Plasmodium falciparum glutathione reductase 0.0109 0.1526 0.2685
Leishmania major NADH-cytochrome b5 reductase, putative 0.0037 0.0157 0.0277
Trypanosoma brucei NADH-cytochrome b5 reductase, putative 0.0037 0.0157 0.0277
Plasmodium vivax ferredoxin--NADP reductase, putative 0.0037 0.0157 0.0277
Leishmania major reductase, putative 0.0037 0.0157 0.0277
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0326 0.5682 1
Echinococcus granulosus NADH cytochrome b5 reductase 3 0.0037 0.0157 0.0157
Plasmodium falciparum thioredoxin reductase 0.0314 0.5442 0.9579
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.0037 0.0157 0.0277
Plasmodium vivax glutathione reductase, putative 0.0314 0.5442 0.9579
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0109 0.1526 0.2685
Trypanosoma brucei NADH-dependent fumarate reductase 0.0037 0.0157 0.0277
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0109 0.1526 0.2685
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.0037 0.0157 0.0277
Echinococcus multilocularis thioredoxin glutathione reductase 0.0314 0.5442 0.5442
Treponema pallidum NADH oxidase 0.0109 0.1526 0.8324
Entamoeba histolytica type A flavoprotein, putative 0.0125 0.1833 1
Brugia malayi flavodoxin family protein 0.0125 0.1833 0.3226
Echinococcus multilocularis lamin dm0 0.0032 0.0061 0.0061
Plasmodium falciparum NADPH--cytochrome P450 reductase, putative 0.0125 0.1833 0.3226
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0125 0.1833 0.3226
Mycobacterium ulcerans oxidoreductase 0.0037 0.0157 0.0277
Mycobacterium ulcerans flavodoxin oxidoreductase 0.0037 0.0157 0.0277
Mycobacterium ulcerans electron transfer protein FdxB 0.0037 0.0157 0.0277
Trypanosoma brucei nitrate reductase, putative 0.0037 0.0157 0.0277
Trypanosoma brucei NADH-cytochrome b5 reductase, putative 0.0037 0.0157 0.0277
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0109 0.1526 1
Leishmania major cytochrome-b5 reductase, putative 0.0037 0.0157 0.0277
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0109 0.1526 0.2803
Loa Loa (eye worm) hypothetical protein 0.0031 0.005 0.0087
Loa Loa (eye worm) hypothetical protein 0.0326 0.5682 1
Brugia malayi Cytochrome b5-like Heme/Steroid binding domain containing protein 0.0037 0.0157 0.0277
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0109 0.1526 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0109 0.1526 0.2685
Schistosoma mansoni NADH-cytochrome B5 reductase 0.0037 0.0157 0.0277
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0314 0.5442 1
Trypanosoma brucei oxidoreductase-protein, putative 0.0037 0.0157 0.0277
Loa Loa (eye worm) glutathione reductase 0.0314 0.5442 0.9579
Echinococcus multilocularis NADH cytochrome b5 reductase 3 0.0037 0.0157 0.0157
Plasmodium falciparum nitric oxide synthase, putative 0.0326 0.5682 1
Leishmania major trypanothione reductase 0.0314 0.5442 0.9579
Onchocerca volvulus 0.0032 0.0061 0.3868
Treponema pallidum ferredoxin-NADP(+) reductase subunit alpha 0.0037 0.0157 0.0858
Echinococcus multilocularis neuropeptide receptor A26 0.0552 1 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0109 0.1526 1
Trypanosoma brucei NADH-dependent fumarate reductase, putative 0.0037 0.0157 0.0277
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0109 0.1526 0.2685
Echinococcus granulosus cytochrome b5 reductase 4 0.0037 0.0157 0.0157
Echinococcus granulosus methionine synthase reductase 0.0201 0.3297 0.3297
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0109 0.1526 0.2685
Trypanosoma cruzi trypanothione reductase, putative 0.0109 0.1526 0.2685
Loa Loa (eye worm) cytochrome b5 reductase 4 0.0037 0.0157 0.0277

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) < 20 % Tested in vitro for the inhibition against C5a anaphylatoxin chemotactic receptor assayed on human monocyte cell line U937; Inactive at 30 microM ChEMBL. No reference
Inhibition (binding) < 20 % Tested in vitro for the inhibition against C5a anaphylatoxin chemotactic receptor assayed on human monocyte cell line U937; Inactive at 30 microM ChEMBL. No reference

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

No external resources registered 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.