Detailed information for compound 1524581

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 332.152 | Formula: C14H10BrN3O2
  • H donors: 2 H acceptors: 2 LogP: 2.26 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1cccc(c1)C1C2=C(COC2=O)Nc2c1cn[nH]2
  • InChi: 1S/C14H10BrN3O2/c15-8-3-1-2-7(4-8)11-9-5-16-18-13(9)17-10-6-20-14(19)12(10)11/h1-5,11H,6H2,(H2,16,17,18)
  • InChiKey: UZZNSNYIBMWDCR-UHFFFAOYSA-N  

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 thyroid hormone receptor 0.0026 0.0475 0.0475
Brugia malayi Steroid receptor seven-up type 2 0.0026 0.0475 0.0141
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0087 0.3047 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0087 0.3047 0.3047
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0087 0.3047 0.2803
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0026 0.0475 0.0475
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0026 0.0475 0.0141
Brugia malayi nuclear receptor NHR-88 0.0026 0.0475 0.0141
Entamoeba histolytica hypothetical protein 0.0038 0.0947 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0026 0.0475 0.0141
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0026 0.0475 0.0475
Schistosoma mansoni nuclear hormone receptor 0.0026 0.0475 0.0475
Loa Loa (eye worm) glutathione reductase 0.0252 1 1
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0087 0.3047 0.2803
Loa Loa (eye worm) thioredoxin reductase 0.0252 1 1
Echinococcus granulosus nuclear factor of activated T cells 5 0.0077 0.2609 0.2609
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0087 0.3047 0.2803
Trypanosoma brucei trypanothione reductase 0.0252 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0026 0.0475 0.0475
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0087 0.3047 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0087 0.3047 0.2803
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0087 0.3047 0.2803
Schistosoma mansoni glutamate synthase 0.0023 0.0339 0.0339
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0026 0.0475 0.0141
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0087 0.3047 0.2803
Echinococcus multilocularis glutamate synthase 0.0023 0.0339 0.0339
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0087 0.3047 1
Plasmodium falciparum thioredoxin reductase 0.0087 0.3047 0.2803
Treponema pallidum NADH oxidase 0.0087 0.3047 1
Echinococcus granulosus pyridine nucleotide disulfide oxidoreductase 0.0023 0.0339 0.0339
Trichomonas vaginalis glutathione reductase, putative 0.0087 0.3047 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0026 0.0475 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0026 0.0475 0.0475
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0026 0.0475 0.0475
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0026 0.0475 0.0141
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0026 0.0475 0.0475
Echinococcus multilocularis sulfide:quinone oxidoreductase 0.0023 0.0339 0.0339
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0026 0.0475 0.0475
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0026 0.0475 0.0141
Echinococcus granulosus thioredoxin glutathione reductase 0.0252 1 1
Echinococcus granulosus glutamate synthase 0.0023 0.0339 0.0339
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0087 0.3047 0.2803
Echinococcus granulosus FTZ F1 alpha 0.0026 0.0475 0.0475
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0026 0.0475 0.0475
Echinococcus granulosus sulfide:quinone oxidoreductase 0.0023 0.0339 0.0339
Loa Loa (eye worm) hypothetical protein 0.0023 0.0339 0.0339
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0023 0.0339 0.0339
Toxoplasma gondii thioredoxin reductase 0.0252 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0026 0.0475 0.0475
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0026 0.0475 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0026 0.0475 0.0475
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0026 0.0475 0.0141
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0087 0.3047 0.2803
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0087 0.3047 1
Schistosoma mansoni sulfide quinone reductase 0.0023 0.0339 0.0339
Schistosoma mansoni glutamate synthase 0.0023 0.0339 0.0339
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0087 0.3047 1
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0087 0.3047 0.2803
Loa Loa (eye worm) hypothetical protein 0.0026 0.0475 0.0475
Loa Loa (eye worm) pyridine nucleotide-disufhide oxidoreductase 0.0023 0.0339 0.0339
Entamoeba histolytica hypothetical protein 0.0038 0.0947 1
Brugia malayi Nuclear hormone receptor-like 1 0.0026 0.0475 0.0141
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0252 1 1
Schistosoma mansoni hypothetical protein 0.0023 0.0339 0.0339
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0087 0.3047 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0026 0.0475 0.0475
Entamoeba histolytica hypothetical protein 0.0038 0.0947 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0026 0.0475 0.0475
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0026 0.0475 0.0475
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0087 0.3047 0.2803
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0026 0.0475 0.0141
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0087 0.3047 0.2803
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0064 0.2069 0.179
Loa Loa (eye worm) hypothetical protein 0.0026 0.0475 0.0475
Plasmodium vivax thioredoxin reductase, putative 0.0252 1 1
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0023 0.0339 0.0339
Mycobacterium tuberculosis Probable oxidoreductase 0.0087 0.3047 0.2803
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0026 0.0475 0.0141
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0087 0.3047 0.2803
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0087 0.3047 0.3047
Schistosoma mansoni thyroid hormone receptor 0.0026 0.0475 0.0475
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0026 0.0475 0.0475
Entamoeba histolytica hypothetical protein 0.0038 0.0947 1
Echinococcus multilocularis apoptosis inducing factor 1 mitochondrial 0.0023 0.0339 0.0339
Loa Loa (eye worm) hypothetical protein 0.0026 0.0475 0.0475
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0026 0.0475 0.0475
Echinococcus multilocularis ecdysone induced protein 78C 0.0026 0.0475 0.0475
Echinococcus granulosus NADPH:adrenodoxin oxidoreductase 0.0023 0.0339 0.0339
Loa Loa (eye worm) programmed cell death 8 0.0023 0.0339 0.0339
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0087 0.3047 0.2803
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0064 0.2069 0.179
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0087 0.3047 0.2803
Trypanosoma cruzi trypanothione reductase, putative 0.0252 1 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0026 0.0475 0.0475
Plasmodium falciparum glutathione reductase 0.0087 0.3047 0.2803
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0087 0.3047 0.2803
Leishmania major trypanothione reductase 0.0252 1 1
Schistosoma mansoni glutamate synthase 0.0023 0.0339 0.0339
Echinococcus granulosus ecdysone induced protein 78C 0.0026 0.0475 0.0475
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0077 0.2609 0.2609
Brugia malayi ecdysteroid receptor 0.0026 0.0475 0.0141
Onchocerca volvulus 0.0026 0.0475 1
Schistosoma mansoni sulfide quinone reductase 0.0023 0.0339 0.0339
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0026 0.0475 0.0475
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0026 0.0475 0.0475
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0087 0.3047 0.2803
Echinococcus multilocularis thyroid hormone receptor alpha 0.0026 0.0475 0.0475
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0026 0.0475 0.0475
Echinococcus multilocularis NADPH:adrenodoxin oxidoreductase 0.0023 0.0339 0.0339
Echinococcus multilocularis FTZ F1 alpha 0.0026 0.0475 0.0475
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0087 0.3047 0.2803
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0026 0.0475 0.0141
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0087 0.3047 0.2803
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0087 0.3047 0.2803
Schistosoma mansoni RAR-like nuclear receptor 0.0026 0.0475 0.0475
Loa Loa (eye worm) hypothetical protein 0.0026 0.0475 0.0475
Schistosoma mansoni retinoic acid receptor RXR 0.0026 0.0475 0.0475
Loa Loa (eye worm) hypothetical protein 0.0026 0.0475 0.0475
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0023 0.0339 0.0339
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0026 0.0475 0.0475
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0026 0.0475 0.0141
Loa Loa (eye worm) steroid hormone receptor 0.0026 0.0475 0.0475
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0947 0.0947
Trypanosoma cruzi trypanothione reductase, putative 0.0087 0.3047 0.2803
Schistosoma mansoni steroid hormone receptor ad4bp 0.0026 0.0475 0.0475
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0087 0.3047 1
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0087 0.3047 0.2803
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0087 0.3047 0.3047
Giardia lamblia NADH oxidase lateral transfer candidate 0.0087 0.3047 1
Plasmodium falciparum glutathione reductase 0.0252 1 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0947 0.0947
Toxoplasma gondii NADPH-glutathione reductase 0.0087 0.3047 0.2803
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0026 0.0475 0.0141
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0026 0.0475 0.0475
Brugia malayi steroid hormone receptor 0.0026 0.0475 0.0141
Schistosoma mansoni disulfide oxidoreductase 0.0023 0.0339 0.0339
Onchocerca volvulus Bile acid receptor homolog 0.0026 0.0475 1
Schistosoma mansoni coup transcription factor 0.0026 0.0475 0.0475
Brugia malayi hypothetical protein 0.0038 0.0947 0.063
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0023 0.0339 0.0339
Echinococcus granulosus apoptosis inducing factor 1 mitochondrial 0.0023 0.0339 0.0339
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0026 0.0475 0.0475
Loa Loa (eye worm) hypothetical protein 0.0026 0.0475 0.0475
Echinococcus multilocularis pyridine nucleotide disulfide oxidoreductase 0.0023 0.0339 0.0339
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0087 0.3047 0.2803
Trichomonas vaginalis mercuric reductase, putative 0.0087 0.3047 1
Plasmodium falciparum thioredoxin reductase 0.0252 1 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0026 0.0475 0.0141
Loa Loa (eye worm) hypothetical protein 0.0026 0.0475 0.0475
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0026 0.0475 0.0475
Plasmodium vivax glutathione reductase, putative 0.0252 1 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0087 0.3047 0.2803
Echinococcus multilocularis thioredoxin glutathione reductase 0.0252 1 1
Brugia malayi nuclear hormone receptor 0.0026 0.0475 0.0141
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0947 0.0947
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0026 0.0475 0.0141
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0026 0.0475 0.0475
Brugia malayi photoreceptor-specific nuclear receptor 0.0026 0.0475 0.0141
Schistosoma mansoni hypothetical protein 0.0038 0.0947 0.0947
Loa Loa (eye worm) hypothetical protein 0.0026 0.0475 0.0475
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0026 0.0475 0.0475
Brugia malayi Thioredoxin reductase 0.0252 1 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0087 0.3047 0.2803
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0087 0.3047 0.2803
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0087 0.3047 0.2803
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0026 0.0475 0.0475

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) = 0.075 uM Antiproliferative activity against human HeLa cells after 48 hrs by MTT assay ChEMBL. 21615090
GI50 (functional) = 0.1 uM Antiproliferative activity against human MCF7 cells after 48 hrs by MTT assay ChEMBL. 21615090

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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